2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one

C28H28F6N6O — CID 166078983

IUPAC2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
SMILESCn1cnnc1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC(C(F)(F)F)C4)cn3c2=O)c1)C1CCC1
InChIInChI=1S/C28H28F6N6O/c1-37-16-35-36-25(37)24(18-4-2-5-18)19-6-3-7-21(11-19)39-15-23-22(28(32,33)34)10-17(13-40(23)26(39)41)12-38-9-8-20(14-38)27(29,30)31/h3,6-7,10-11,13,15-16,18,20,24H,2,4-5,8-9,12,14H2,1H3/t20?,24-/m1/s1
InChIKeyADVGKBFGHNNIPH-PIFIWZBESA-N
MW578.56 g/mol
LogP5.55
Rot. Bonds6

About 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one (PubChem CID 166078983) has the molecular formula C28H28F6N6O and a molecular weight of 578.56 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
PubChem CID166078983
Molecular FormulaC28H28F6N6O
Molecular Weight578.56 g/mol
Exact Mass578.22
IUPAC Name2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
SMILESCn1cnnc1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC(C(F)(F)F)C4)cn3c2=O)c1)C1CCC1
InChIInChI=1S/C28H28F6N6O/c1-37-16-35-36-25(37)24(18-4-2-5-18)19-6-3-7-21(11-19)39-15-23-22(28(32,33)34)10-17(13-40(23)26(39)41)12-38-9-8-20(14-38)27(29,30)31/h3,6-7,10-11,13,15-16,18,20,24H,2,4-5,8-9,12,14H2,1H3/t20?,24-/m1/s1
InChIKeyADVGKBFGHNNIPH-PIFIWZBESA-N
XLogP5.55
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.56
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one (CID 166078983) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one is Cn1cnnc1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC(C(F)(F)F)C4)cn3c2=O)c1)C1CCC1.
What is the InChIKey of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
The InChIKey is ADVGKBFGHNNIPH-PIFIWZBESA-N. The full InChI is InChI=1S/C28H28F6N6O/c1-37-16-35-36-25(37)24(18-4-2-5-18)19-6-3-7-21(11-19)39-15-23-22(28(32,33)34)10-17(13-40(23)26(39)41)12-38-9-8-20(14-38)27(29,30)31/h3,6-7,10-11,13,15-16,18,20,24H,2,4-5,8-9,12,14H2,1H3/t20?,24-/m1/s1.
What are the key properties of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one has a molecular weight of 578.56 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166078983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).