1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one

C23H25N3O2 — CID 155351745

IUPAC1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cccc(C23CC2CN(C(=O)c2cn(C)c4c(C)cn(C)c(=O)c24)C3)c1
InChIInChI=1S/C23H25N3O2/c1-14-6-5-7-16(8-14)23-9-17(23)11-26(13-23)21(27)18-12-24(3)20-15(2)10-25(4)22(28)19(18)20/h5-8,10,12,17H,9,11,13H2,1-4H3
InChIKeyFZWRSCPNIAINQV-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.91
Rot. Bonds2

About 1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one

1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one (PubChem CID 155351745) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one
PubChem CID155351745
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cccc(C23CC2CN(C(=O)c2cn(C)c4c(C)cn(C)c(=O)c24)C3)c1
InChIInChI=1S/C23H25N3O2/c1-14-6-5-7-16(8-14)23-9-17(23)11-26(13-23)21(27)18-12-24(3)20-15(2)10-25(4)22(28)19(18)20/h5-8,10,12,17H,9,11,13H2,1-4H3
InChIKeyFZWRSCPNIAINQV-UHFFFAOYSA-N
XLogP2.91
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 155372612
3-[6-(3-chlorophenyl)-3-azabicyclo[4.1.0]heptane-3-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 155372879
1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one
CID 155351702
3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351898
3-(3-methoxypiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351860
3-[7,7-difluoro-6-(4-methoxyphenyl)-3-azabicyclo[4.1.0]heptane-3-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351981
1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one
CID 155351753
methyl N-[2-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]carbamate
CID 166717960
3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351853
(1S,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 98076944
3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 155372655
1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166708569

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one (CID 155351745) is 1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one is Cc1cccc(C23CC2CN(C(=O)c2cn(C)c4c(C)cn(C)c(=O)c24)C3)c1.
What is the InChIKey of 1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is FZWRSCPNIAINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-6-5-7-16(8-14)23-9-17(23)11-26(13-23)21(27)18-12-24(3)20-15(2)10-25(4)22(28)19(18)20/h5-8,10,12,17H,9,11,13H2,1-4H3.
What are the key properties of 1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one?
1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 375.47 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155351745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).