1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine

C31H21ClN6 — CID 102168437

IUPAC1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
SMILESClc1ccc(C(c2nc(-c3ccccn3)n3ccccc23)c2nc(-c3ccccn3)n3ccccc23)cc1
InChIInChI=1S/C31H21ClN6/c32-22-15-13-21(14-16-22)27(28-25-11-3-7-19-37(25)30(35-28)23-9-1-5-17-33-23)29-26-12-4-8-20-38(26)31(36-29)24-10-2-6-18-34-24/h1-20,27H
InChIKeyLRICVMNFEOAZEK-UHFFFAOYSA-N
MW513.00 g/mol
LogP6.94
Rot. Bonds5

About 1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine

1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine (PubChem CID 102168437) has the molecular formula C31H21ClN6 and a molecular weight of 513.00 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
PubChem CID102168437
Molecular FormulaC31H21ClN6
Molecular Weight513.00 g/mol
Exact Mass512.15
IUPAC Name1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
SMILESClc1ccc(C(c2nc(-c3ccccn3)n3ccccc23)c2nc(-c3ccccn3)n3ccccc23)cc1
InChIInChI=1S/C31H21ClN6/c32-22-15-13-21(14-16-22)27(28-25-11-3-7-19-37(25)30(35-28)23-9-1-5-17-33-23)29-26-12-4-8-20-38(26)31(36-29)24-10-2-6-18-34-24/h1-20,27H
InChIKeyLRICVMNFEOAZEK-UHFFFAOYSA-N
XLogP6.94
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.00
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
7-(2,4-Dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 18001593
4-[2-(4-Chlorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745380
(4-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24745529
6-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine
CID 58880630
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]purine
CID 135156440
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]purine
CID 145987281
2-(4-Chlorophenyl)-8-methylimidazo[1,2-a]pyridine
CID 3703860
5-[(4-Chlorophenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10066826
6-{[(4-chlorophenyl)methyl]amino}-9-(pyridin-3-ylmethyl)-9H-purine-2-carbonitrile
CID 24778443
3-(1-Cyclobutylethyl)-7-(2,4-dichlorophenyl)-2-ethylimidazo[4,5-b]pyridine
CID 44458924
3-[(1R)-1-cyclopropylpropyl]-7-(2,4-dichlorophenyl)-2-ethylimidazo[4,5-b]pyridine
CID 44458973

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine?
The IUPAC name of 1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine (CID 102168437) is 1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine is Clc1ccc(C(c2nc(-c3ccccn3)n3ccccc23)c2nc(-c3ccccn3)n3ccccc23)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine?
The InChIKey is LRICVMNFEOAZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21ClN6/c32-22-15-13-21(14-16-22)27(28-25-11-3-7-19-37(25)30(35-28)23-9-1-5-17-33-23)29-26-12-4-8-20-38(26)31(36-29)24-10-2-6-18-34-24/h1-20,27H.
What are the key properties of 1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine?
1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine has a molecular weight of 513.00 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)methyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 102168437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).