7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine

C37H26ClN9 — CID 160598065

IUPAC7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine
SMILESClc1ccn2c(-c3cccc(-n4cccn4)c3)cnc2c1.c1cncc(-c2ccn3c(-c4cccc(-n5cccn5)c4)cnc3c2)c1
InChIInChI=1S/C21H15N5.C16H11ClN4/c1-4-17(12-19(6-1)26-10-3-9-24-26)20-15-23-21-13-16(7-11-25(20)21)18-5-2-8-22-14-18;17-13-5-8-20-15(11-18-16(20)10-13)12-3-1-4-14(9-12)21-7-2-6-19-21/h1-15H;1-11H
InChIKeyRDXBPQTUOVWEBC-UHFFFAOYSA-N
MW632.13 g/mol
LogP8.09
Rot. Bonds5

About 7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine

7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine (PubChem CID 160598065) has the molecular formula C37H26ClN9 and a molecular weight of 632.13 g/mol. Its IUPAC name is 7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine
PubChem CID160598065
Molecular FormulaC37H26ClN9
Molecular Weight632.13 g/mol
Exact Mass631.20
IUPAC Name7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine
SMILESClc1ccn2c(-c3cccc(-n4cccn4)c3)cnc2c1.c1cncc(-c2ccn3c(-c4cccc(-n5cccn5)c4)cnc3c2)c1
InChIInChI=1S/C21H15N5.C16H11ClN4/c1-4-17(12-19(6-1)26-10-3-9-24-26)20-15-23-21-13-16(7-11-25(20)21)18-5-2-8-22-14-18;17-13-5-8-20-15(11-18-16(20)10-13)12-3-1-4-14(9-12)21-7-2-6-19-21/h1-15H;1-11H
InChIKeyRDXBPQTUOVWEBC-UHFFFAOYSA-N
XLogP8.09
TPSA83.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.13
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine?
The IUPAC name of 7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine (CID 160598065) is 7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine is Clc1ccn2c(-c3cccc(-n4cccn4)c3)cnc2c1.c1cncc(-c2ccn3c(-c4cccc(-n5cccn5)c4)cnc3c2)c1.
What is the InChIKey of 7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine?
The InChIKey is RDXBPQTUOVWEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5.C16H11ClN4/c1-4-17(12-19(6-1)26-10-3-9-24-26)20-15-23-21-13-16(7-11-25(20)21)18-5-2-8-22-14-18;17-13-5-8-20-15(11-18-16(20)10-13)12-3-1-4-14(9-12)21-7-2-6-19-21/h1-15H;1-11H.
What are the key properties of 7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine?
7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine has a molecular weight of 632.13 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 160598065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).