Panulisib
[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
Molecular Identity
Panulisib
[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
PubChem CID: 56947515
2D Structure
Properties
C27H20F3N9
Molecular Formula
527.50
Molecular Weight
g/mol
527.1794
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
131
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C#N)C1=NC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=NC#N)C)C5=CC(=C(N=C5)N)C(F)(F)FIsomeric SMILES
SMILES: CC(C)(C#N)C1=NC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=NC#N)C)C5=CC(=C(N=C5)N)C(F)(F)FSynonyms(20)
Panulisib1356033-60-7Panulisib [INN][8-[6-amino-5-(trifluoromethyl)pyridin-3-yl]-1-[6-(2-cyanopropan-2-yl)pyridin-3-yl]-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamideS9WA04F921Panulisib (P7170, AK151761)P7170P-7170(E)-N-(8-(6-Amino-5-(trifluoromethyl)pyridin-3-yl)-1-(6-(2-cyanopropan-2-yl)pyridin-3-yl)-3-methyl-1H-imidazo[4,5-c]quinolin-2(3H)-ylidene)cyanamideCyanamide, N-(8-(6-amino-5-(trifluoromethyl)-3-pyridinyl)-1-(6-(1-cyano-1-methylethyl)-3-pyridinyl)-1,3-dihydro-3-methyl-2H-imidazo(4,5-C)quinolin-2-ylidene)-N-(8-(6-Amino-5-(trifluoromethyl)pyridin-3-yl)-1-(6-(2-cyanopropan-2-yl)pyridin-3-yl)-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-ylidene)cyanamideUNII-S9WA04F921PANULISIB [WHO-DD]SCHEMBL367229SCHEMBL367230
Data from PubChem (NCBI)
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