CID 178155775

C35H44F3N4O — CID 178155775

IUPAC—
SMILESCC.CCC1=N[C]([C@@H](c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)c2)C2CCC2)C(C)=C1
InChIInChI=1S/C33H38F3N4O.C2H6/c1-4-26-14-22(3)31(37-26)30(24-9-5-10-24)25-11-6-12-27(16-25)39-20-29-28(33(34,35)36)15-23(19-40(29)32(39)41)18-38-13-7-8-21(2)17-38;1-2/h6,11-12,14-16,19-21,24,30H,4-5,7-10,13,17-18H2,1-3H3;1-2H3/t21-,30+;/m0./s1
InChIKeyQJKMIWOHCQBRQW-JBGRJTRNSA-N
MW593.76 g/mol
LogP8.59
Rot. Bonds7

About CID 178155775

CID 178155775 (PubChem CID 178155775) has the molecular formula C35H44F3N4O and a molecular weight of 593.76 g/mol.

Molecular Properties

Compound NameCID 178155775
PubChem CID178155775
Molecular FormulaC35H44F3N4O
Molecular Weight593.76 g/mol
Exact Mass593.35
IUPAC Name—
SMILESCC.CCC1=N[C]([C@@H](c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)c2)C2CCC2)C(C)=C1
InChIInChI=1S/C33H38F3N4O.C2H6/c1-4-26-14-22(3)31(37-26)30(24-9-5-10-24)25-11-6-12-27(16-25)39-20-29-28(33(34,35)36)15-23(19-40(29)32(39)41)18-38-13-7-8-21(2)17-38;1-2/h6,11-12,14-16,19-21,24,30H,4-5,7-10,13,17-18H2,1-3H3;1-2H3/t21-,30+;/m0./s1
InChIKeyQJKMIWOHCQBRQW-JBGRJTRNSA-N
XLogP8.59
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.76
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze CID 178155775 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080031
2-[3-[cyclobutyl-(5-methyl-1,3-thiazol-4-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753041
2-[3-[(S)-cyclobutyl-(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080073
2-[3-[(R)-cyclobutyl-[4-(methoxymethyl)-1,3-thiazol-2-yl]methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079177
6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080192
6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079998
2-[3-[(R)-(3,3-difluorocyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166078980
CID 178155957
CID 178155957
5-methyl-4-[(1S)-1-[3-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-1,3-thiazole-2-carbonitrile
CID 166079780
CID 166080332
CID 166080332
2-[(1S)-1-[3-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-1,3-thiazole-4-carbonitrile
CID 166080296
2-[3-[(R)-cyclobutyl-[1-(2-methoxyethyl)-4-methyl-3H-pyrazol-1-ium-3-yl]methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 178155893

Frequently Asked Questions

What is the IUPAC name of CID 178155775?
The IUPAC name of CID 178155775 (CID 178155775) is not available.
What is the SMILES notation for CID 178155775?
The canonical SMILES for CID 178155775 is CC.CCC1=N[C]([C@@H](c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)c2)C2CCC2)C(C)=C1.
What is the InChIKey of CID 178155775?
The InChIKey is QJKMIWOHCQBRQW-JBGRJTRNSA-N. The full InChI is InChI=1S/C33H38F3N4O.C2H6/c1-4-26-14-22(3)31(37-26)30(24-9-5-10-24)25-11-6-12-27(16-25)39-20-29-28(33(34,35)36)15-23(19-40(29)32(39)41)18-38-13-7-8-21(2)17-38;1-2/h6,11-12,14-16,19-21,24,30H,4-5,7-10,13,17-18H2,1-3H3;1-2H3/t21-,30+;/m0./s1.
What are the key properties of CID 178155775?
CID 178155775 has a molecular weight of 593.76 g/mol, XLogP of 8.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178155775 is sourced from PubChem (CID 178155775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).