1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine

C12H14ClN3S — CID 117251665

IUPAC1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine
SMILESNc1ccn2c(C3CCSCC3)nc(Cl)c2c1
InChIInChI=1S/C12H14ClN3S/c13-11-10-7-9(14)1-4-16(10)12(15-11)8-2-5-17-6-3-8/h1,4,7-8H,2-3,5-6,14H2
InChIKeyOTWFJMRPKQEPBV-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.18
Rot. Bonds1

About 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine

1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine (PubChem CID 117251665) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine
PubChem CID117251665
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine
SMILESNc1ccn2c(C3CCSCC3)nc(Cl)c2c1
InChIInChI=1S/C12H14ClN3S/c13-11-10-7-9(14)1-4-16(10)12(15-11)8-2-5-17-6-3-8/h1,4,7-8H,2-3,5-6,14H2
InChIKeyOTWFJMRPKQEPBV-UHFFFAOYSA-N
XLogP3.18
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-piperidin-3-ylimidazo[1,5-a]pyridin-7-amine
CID 117254085
1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251569
1-bromo-3-cyclobutylimidazo[1,5-a]pyridin-7-amine
CID 83844547
1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine
CID 117254036
1-chloro-7-methyl-3-piperidin-4-ylimidazo[1,5-a]pyridine
CID 84741989
7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143826
2-(thian-4-yl)imidazo[1,2-a]pyridin-7-amine
CID 117133650
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate
CID 117251063
1-chloro-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,5-a]pyridin-7-ol
CID 117251680
3-(azetidin-3-yl)-1-chloroimidazo[1,5-a]pyridin-7-ol
CID 117254042
1,7-dichloro-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 117254087
3-(azetidin-3-yl)-1-chloro-7-methoxyimidazo[1,5-a]pyridine
CID 117254044

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine?
The IUPAC name of 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine (CID 117251665) is 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine?
The canonical SMILES for 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine is Nc1ccn2c(C3CCSCC3)nc(Cl)c2c1.
What is the InChIKey of 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine?
The InChIKey is OTWFJMRPKQEPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c13-11-10-7-9(14)1-4-16(10)12(15-11)8-2-5-17-6-3-8/h1,4,7-8H,2-3,5-6,14H2.
What are the key properties of 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine?
1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine has a molecular weight of 267.78 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 117251665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).