2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine

C16H23N3S — CID 162356492

IUPAC2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine
SMILESCC(C)(N)c1ncc2c(SCC3CCCC3)cccn12
InChIInChI=1S/C16H23N3S/c1-16(2,17)15-18-10-13-14(8-5-9-19(13)15)20-11-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7,11,17H2,1-2H3
InChIKeyNEDLGDXJMXZCHJ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.81
Rot. Bonds4

About 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine

2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine (PubChem CID 162356492) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine
PubChem CID162356492
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine
SMILESCC(C)(N)c1ncc2c(SCC3CCCC3)cccn12
InChIInChI=1S/C16H23N3S/c1-16(2,17)15-18-10-13-14(8-5-9-19(13)15)20-11-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7,11,17H2,1-2H3
InChIKeyNEDLGDXJMXZCHJ-UHFFFAOYSA-N
XLogP3.81
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine with MolForge

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Related Compounds

E6Clv6G2RR
CID 16750138
2-p-Tolylsulfanylmethyl-imidazo[1,2-a]pyridine
CID 914413
N-cyclopentyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 16192895
(2-{[(7-Methylimidazo[1,2-a]pyridin-2-yl)methyl]thio}phenyl)amine
CID 1509139
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
N-cyclohexyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808862
2-Phenyl-6-propylsulfanyl-imidazo[1,2-a]pyridine
CID 12004643
KP5TW22ME7
CID 24742039
tert-Butyl-(2-thiophen-2-yl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 860274
2-(Imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline
CID 699701
N-benzyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808733
N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 861018

Frequently Asked Questions

What is the IUPAC name of 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine?
The IUPAC name of 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine (CID 162356492) is 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine.
What is the SMILES notation for 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine?
The canonical SMILES for 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine is CC(C)(N)c1ncc2c(SCC3CCCC3)cccn12.
What is the InChIKey of 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine?
The InChIKey is NEDLGDXJMXZCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-16(2,17)15-18-10-13-14(8-5-9-19(13)15)20-11-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7,11,17H2,1-2H3.
What are the key properties of 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine?
2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(cyclopentylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-amine is sourced from PubChem (CID 162356492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).