[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

C21H22N8O — CID 122338503

IUPAC[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc(N2CCN(C(=O)c3c(C)nc4ccccn34)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C21H22N8O/c1-15-20(29-7-4-3-5-17(29)23-15)21(30)27-11-9-26(10-12-27)18-13-19(25-16(2)24-18)28-8-6-22-14-28/h3-8,13-14H,9-12H2,1-2H3
InChIKeyDSRGJSBAYQCPEA-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.89
Rot. Bonds3

About [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 122338503) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID122338503
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc(N2CCN(C(=O)c3c(C)nc4ccccn34)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C21H22N8O/c1-15-20(29-7-4-3-5-17(29)23-15)21(30)27-11-9-26(10-12-27)18-13-19(25-16(2)24-18)28-8-6-22-14-28/h3-8,13-14H,9-12H2,1-2H3
InChIKeyDSRGJSBAYQCPEA-UHFFFAOYSA-N
XLogP1.89
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342399
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 122332308
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348701
(2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 121073773
(4-chlorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699121
6-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122338462
(3-fluorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700227
(2,5-dimethylphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699268
[4-(dimethylamino)phenyl]-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338510
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122338546
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 50944512
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122338506

Frequently Asked Questions

What is the IUPAC name of [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (CID 122338503) is [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is Cc1nc(N2CCN(C(=O)c3c(C)nc4ccccn34)CC2)cc(-n2ccnc2)n1.
What is the InChIKey of [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is DSRGJSBAYQCPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-15-20(29-7-4-3-5-17(29)23-15)21(30)27-11-9-26(10-12-27)18-13-19(25-16(2)24-18)28-8-6-22-14-28/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 402.46 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 122338503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).