N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine

C17H12ClN5 — CID 6539023

IUPACN-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-c3cnc4ccccn34)n2)c1
InChIInChI=1S/C17H12ClN5/c18-12-4-3-5-13(10-12)21-17-19-8-7-14(22-17)15-11-20-16-6-1-2-9-23(15)16/h1-11H,(H,19,21,22)
InChIKeyADNQLYCKDLXBLL-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.19
Rot. Bonds3

About N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine

N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine (PubChem CID 6539023) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
PubChem CID6539023
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC NameN-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-c3cnc4ccccn34)n2)c1
InChIInChI=1S/C17H12ClN5/c18-12-4-3-5-13(10-12)21-17-19-8-7-14(22-17)15-11-20-16-6-1-2-9-23(15)16/h1-11H,(H,19,21,22)
InChIKeyADNQLYCKDLXBLL-UHFFFAOYSA-N
XLogP4.19
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine (CID 6539023) is N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine is Clc1cccc(Nc2nccc(-c3cnc4ccccn34)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
The InChIKey is ADNQLYCKDLXBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-12-4-3-5-13(10-12)21-17-19-8-7-14(22-17)15-11-20-16-6-1-2-9-23(15)16/h1-11H,(H,19,21,22).
What are the key properties of N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine has a molecular weight of 321.77 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).