(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

C18H24N4OS — CID 166861860

IUPAC(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
SMILESCSc1cccn2c(C(C)(C)NC(=O)[C@@H]3[C@H]4CNC[C@]43C)ncc12
InChIInChI=1S/C18H24N4OS/c1-17(2,21-15(23)14-11-8-19-10-18(11,14)3)16-20-9-12-13(24-4)6-5-7-22(12)16/h5-7,9,11,14,19H,8,10H2,1-4H3,(H,21,23)/t11-,14+,18-/m1/s1
InChIKeyHVAMREAUODRNNE-CDNVCLAFSA-N
MW344.48 g/mol
LogP2.26
Rot. Bonds4

About (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

(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 (PubChem CID 166861860) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166861860
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(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
SMILESCSc1cccn2c(C(C)(C)NC(=O)[C@@H]3[C@H]4CNC[C@]43C)ncc12
InChIInChI=1S/C18H24N4OS/c1-17(2,21-15(23)14-11-8-19-10-18(11,14)3)16-20-9-12-13(24-4)6-5-7-22(12)16/h5-7,9,11,14,19H,8,10H2,1-4H3,(H,21,23)/t11-,14+,18-/m1/s1
InChIKeyHVAMREAUODRNNE-CDNVCLAFSA-N
XLogP2.26
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123181501
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-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]piperazine-2-carboxamide
CID 178028099
(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
3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 167525520
N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-2-carboxamide;hydrochloride
CID 175904542
N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123247051
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
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
2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid
CID 174235429
4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide
CID 178028102

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CSc1cccn2c(C(C)(C)NC(=O)[C@@H]3[C@H]4CNC[C@]43C)ncc12.
What is the InChIKey of (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?
The InChIKey is HVAMREAUODRNNE-CDNVCLAFSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-17(2,21-15(23)14-11-8-19-10-18(11,14)3)16-20-9-12-13(24-4)6-5-7-22(12)16/h5-7,9,11,14,19H,8,10H2,1-4H3,(H,21,23)/t11-,14+,18-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 344.48 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166861860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).