1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine

C12H13ClN4 — CID 117248853

IUPAC1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2c(Cl)nc(-c3ccncc3)n2C1
InChIInChI=1S/C12H13ClN4/c13-11-10-2-1-9(14)7-17(10)12(16-11)8-3-5-15-6-4-8/h3-6,9H,1-2,7,14H2
InChIKeyDHZMRTWQWPOVAX-UHFFFAOYSA-N
MW248.72 g/mol
LogP1.87
Rot. Bonds1

About 1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine

1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (PubChem CID 117248853) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
PubChem CID117248853
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2c(Cl)nc(-c3ccncc3)n2C1
InChIInChI=1S/C12H13ClN4/c13-11-10-2-1-9(14)7-17(10)12(16-11)8-3-5-15-6-4-8/h3-6,9H,1-2,7,14H2
InChIKeyDHZMRTWQWPOVAX-UHFFFAOYSA-N
XLogP1.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The IUPAC name of 1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (CID 117248853) is 1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The canonical SMILES for 1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is NC1CCc2c(Cl)nc(-c3ccncc3)n2C1.
What is the InChIKey of 1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The InChIKey is DHZMRTWQWPOVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-11-10-2-1-9(14)7-17(10)12(16-11)8-3-5-15-6-4-8/h3-6,9H,1-2,7,14H2.
What are the key properties of 1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine has a molecular weight of 248.72 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 117248853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).