1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine

C12H16ClN3 — CID 83897879

IUPAC1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine
SMILESCNc1ccn2c(CC(C)C)nc(Cl)c2c1
InChIInChI=1S/C12H16ClN3/c1-8(2)6-11-15-12(13)10-7-9(14-3)4-5-16(10)11/h4-5,7-8,14H,6H2,1-3H3
InChIKeyTURAEJQTJQNOHQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.23
Rot. Bonds3

About 1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine

1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine (PubChem CID 83897879) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine
PubChem CID83897879
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine
SMILESCNc1ccn2c(CC(C)C)nc(Cl)c2c1
InChIInChI=1S/C12H16ClN3/c1-8(2)6-11-15-12(13)10-7-9(14-3)4-5-16(10)11/h4-5,7-8,14H,6H2,1-3H3
InChIKeyTURAEJQTJQNOHQ-UHFFFAOYSA-N
XLogP3.23
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine?
The IUPAC name of 1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine (CID 83897879) is 1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine?
The canonical SMILES for 1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine is CNc1ccn2c(CC(C)C)nc(Cl)c2c1.
What is the InChIKey of 1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine?
The InChIKey is TURAEJQTJQNOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8(2)6-11-15-12(13)10-7-9(14-3)4-5-16(10)11/h4-5,7-8,14H,6H2,1-3H3.
What are the key properties of 1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine?
1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine has a molecular weight of 237.73 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 83897879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).