6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C31H34F3N5O — CID 167186513

IUPAC6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCC1CCC=NN=C1C(c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CC5(CC5)C4)cn3c2=O)c1)C1CCC1
InChIInChI=1S/C31H34F3N5O/c1-20-5-4-12-35-36-28(20)27(22-6-2-7-22)23-8-3-9-24(14-23)38-17-26-25(31(32,33)34)13-21(16-39(26)29(38)40)15-37-18-30(19-37)10-11-30/h3,8-9,12-14,16-17,20,22,27H,2,4-7,10-11,15,18-19H2,1H3
InChIKeyFEHHDLHVDXBCMQ-UHFFFAOYSA-N
MW549.64 g/mol
LogP6.45
Rot. Bonds6

About 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 167186513) has the molecular formula C31H34F3N5O and a molecular weight of 549.64 g/mol. Its IUPAC name is 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID167186513
Molecular FormulaC31H34F3N5O
Molecular Weight549.64 g/mol
Exact Mass549.27
IUPAC Name6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCC1CCC=NN=C1C(c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CC5(CC5)C4)cn3c2=O)c1)C1CCC1
InChIInChI=1S/C31H34F3N5O/c1-20-5-4-12-35-36-28(20)27(22-6-2-7-22)23-8-3-9-24(14-23)38-17-26-25(31(32,33)34)13-21(16-39(26)29(38)40)15-37-18-30(19-37)10-11-30/h3,8-9,12-14,16-17,20,22,27H,2,4-7,10-11,15,18-19H2,1H3
InChIKeyFEHHDLHVDXBCMQ-UHFFFAOYSA-N
XLogP6.45
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.64
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 167186513) is 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CC1CCC=NN=C1C(c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CC5(CC5)C4)cn3c2=O)c1)C1CCC1.
What is the InChIKey of 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is FEHHDLHVDXBCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N5O/c1-20-5-4-12-35-36-28(20)27(22-6-2-7-22)23-8-3-9-24(14-23)38-17-26-25(31(32,33)34)13-21(16-39(26)29(38)40)15-37-18-30(19-37)10-11-30/h3,8-9,12-14,16-17,20,22,27H,2,4-7,10-11,15,18-19H2,1H3.
What are the key properties of 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 549.64 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[cyclobutyl-(4-methyl-5,6-dihydro-4H-diazepin-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 167186513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).