6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine

C17H19ClN4 — CID 861017

IUPAC6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESCC(C)CCNc1c(-c2cccnc2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H19ClN4/c1-12(2)7-9-20-17-16(13-4-3-8-19-10-13)21-15-6-5-14(18)11-22(15)17/h3-6,8,10-12,20H,7,9H2,1-2H3
InChIKeyWZXQHXCCBXRGMW-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.51
Rot. Bonds5

About 6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine

6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 861017) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID861017
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESCC(C)CCNc1c(-c2cccnc2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H19ClN4/c1-12(2)7-9-20-17-16(13-4-3-8-19-10-13)21-15-6-5-14(18)11-22(15)17/h3-6,8,10-12,20H,7,9H2,1-2H3
InChIKeyWZXQHXCCBXRGMW-UHFFFAOYSA-N
XLogP4.51
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine (CID 861017) is 6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine is CC(C)CCNc1c(-c2cccnc2)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is WZXQHXCCBXRGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-12(2)7-9-20-17-16(13-4-3-8-19-10-13)21-15-6-5-14(18)11-22(15)17/h3-6,8,10-12,20H,7,9H2,1-2H3.
What are the key properties of 6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine?
6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 314.82 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylbutyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 861017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).