5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine

C20H21ClN8 — CID 122177112

IUPAC5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C2CCNCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C20H21ClN8/c1-13-16(12-29(27-13)14-5-7-22-8-6-14)25-20-24-10-15(21)19(26-20)17-11-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,25,26)
InChIKeyJVFLXTNKVBOVBS-UHFFFAOYSA-N
MW408.90 g/mol
LogP3.62
Rot. Bonds4

About 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine

5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 122177112) has the molecular formula C20H21ClN8 and a molecular weight of 408.90 g/mol. Its IUPAC name is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID122177112
Molecular FormulaC20H21ClN8
Molecular Weight408.90 g/mol
Exact Mass408.16
IUPAC Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C2CCNCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C20H21ClN8/c1-13-16(12-29(27-13)14-5-7-22-8-6-14)25-20-24-10-15(21)19(26-20)17-11-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,25,26)
InChIKeyJVFLXTNKVBOVBS-UHFFFAOYSA-N
XLogP3.62
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine (CID 122177112) is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine is Cc1nn(C2CCNCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is JVFLXTNKVBOVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN8/c1-13-16(12-29(27-13)14-5-7-22-8-6-14)25-20-24-10-15(21)19(26-20)17-11-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,25,26).
What are the key properties of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 408.90 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 122177112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).