2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C30H44F3N5O — CID 171753116

IUPAC2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCC1CNNC1[C@@H](C1CCC1)C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCC[C@H](C)C4)cn3c2=O)C1
InChIInChI=1S/C30H44F3N5O/c1-19-6-5-11-36(15-19)16-21-12-25(30(31,32)33)26-18-37(29(39)38(26)17-21)24-10-4-9-23(13-24)27(22-7-3-8-22)28-20(2)14-34-35-28/h12,17-20,22-24,27-28,34-35H,3-11,13-16H2,1-2H3/t19-,20?,23?,24?,27-,28?/m0/s1
InChIKeyLDWFNTZVNUXCOO-IPFDITSFSA-N
MW547.71 g/mol
LogP5.61
Rot. Bonds6

About 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171753116) has the molecular formula C30H44F3N5O and a molecular weight of 547.71 g/mol. Its IUPAC name is 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID171753116
Molecular FormulaC30H44F3N5O
Molecular Weight547.71 g/mol
Exact Mass547.35
IUPAC Name2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCC1CNNC1[C@@H](C1CCC1)C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCC[C@H](C)C4)cn3c2=O)C1
InChIInChI=1S/C30H44F3N5O/c1-19-6-5-11-36(15-19)16-21-12-25(30(31,32)33)26-18-37(29(39)38(26)17-21)24-10-4-9-23(13-24)27(22-7-3-8-22)28-20(2)14-34-35-28/h12,17-20,22-24,27-28,34-35H,3-11,13-16H2,1-2H3/t19-,20?,23?,24?,27-,28?/m0/s1
InChIKeyLDWFNTZVNUXCOO-IPFDITSFSA-N
XLogP5.61
TPSA53.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.71
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171753116) is 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CC1CNNC1[C@@H](C1CCC1)C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCC[C@H](C)C4)cn3c2=O)C1.
What is the InChIKey of 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is LDWFNTZVNUXCOO-IPFDITSFSA-N. The full InChI is InChI=1S/C30H44F3N5O/c1-19-6-5-11-36(15-19)16-21-12-25(30(31,32)33)26-18-37(29(39)38(26)17-21)24-10-4-9-23(13-24)27(22-7-3-8-22)28-20(2)14-34-35-28/h12,17-20,22-24,27-28,34-35H,3-11,13-16H2,1-2H3/t19-,20?,23?,24?,27-,28?/m0/s1.
What are the key properties of 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 547.71 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171753116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).