(1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C21H28N4OS — CID 166862327

IUPAC(1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(SCC3CCC3)cccn12
InChIInChI=1S/C21H28N4OS/c1-21(2,24-19(26)18-14-9-22-10-15(14)18)20-23-11-16-17(7-4-8-25(16)20)27-12-13-5-3-6-13/h4,7-8,11,13-15,18,22H,3,5-6,9-10,12H2,1-2H3,(H,24,26)/t14-,15+,18?
InChIKeySPDGHKGCAHFDSN-MVVMVCHASA-N
MW384.55 g/mol
LogP3.04
Rot. Bonds6

About (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 166862327) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID166862327
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name(1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(SCC3CCC3)cccn12
InChIInChI=1S/C21H28N4OS/c1-21(2,24-19(26)18-14-9-22-10-15(14)18)20-23-11-16-17(7-4-8-25(16)20)27-12-13-5-3-6-13/h4,7-8,11,13-15,18,22H,3,5-6,9-10,12H2,1-2H3,(H,24,26)/t14-,15+,18?
InChIKeySPDGHKGCAHFDSN-MVVMVCHASA-N
XLogP3.04
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123705917
N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123181501
(5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 139459325
2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine
CID 162356492
(1R,5R,6R)-1-methyl-N-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 166861860
(1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen
CID 144745317
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123773817
N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]piperazine-2-carboxamide
CID 178028099
N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123452439
2-(3-azabicyclo[3.2.1]octan-8-yl)-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]acetamide
CID 166856727
N-[2-[8-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide
CID 171564415
tert-butyl 6-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123686398

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 166862327) is (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(SCC3CCC3)cccn12.
What is the InChIKey of (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is SPDGHKGCAHFDSN-MVVMVCHASA-N. The full InChI is InChI=1S/C21H28N4OS/c1-21(2,24-19(26)18-14-9-22-10-15(14)18)20-23-11-16-17(7-4-8-25(16)20)27-12-13-5-3-6-13/h4,7-8,11,13-15,18,22H,3,5-6,9-10,12H2,1-2H3,(H,24,26)/t14-,15+,18?.
What are the key properties of (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 166862327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).