(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C22H23N7O — CID 122342399

IUPAC(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3c(C)nc4ccccn34)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C22H23N7O/c1-16-21(29-10-4-3-7-18(29)23-16)22(30)28-13-11-27(12-14-28)20-15-19(24-17(2)25-20)26-8-5-6-9-26/h3-10,15H,11-14H2,1-2H3
InChIKeyBKPJJUGSMNNIPF-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.49
Rot. Bonds3

About (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122342399) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122342399
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3c(C)nc4ccccn34)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C22H23N7O/c1-16-21(29-10-4-3-7-18(29)23-16)22(30)28-13-11-27(12-14-28)20-15-19(24-17(2)25-20)26-8-5-6-9-26/h3-10,15H,11-14H2,1-2H3
InChIKeyBKPJJUGSMNNIPF-UHFFFAOYSA-N
XLogP2.49
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 122338503
[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-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345889
(4-methoxyphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342217
(4-tert-butylphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342214
indolizin-2-yl-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342479
2-methyl-1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122342201
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122342395
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122342360
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 90654006
(E)-3-(2-chlorophenyl)-1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 122342356

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122342399) is (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3c(C)nc4ccccn34)CC2)cc(-n2cccc2)n1.
What is the InChIKey of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is BKPJJUGSMNNIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-16-21(29-10-4-3-7-18(29)23-16)22(30)28-13-11-27(12-14-28)20-15-19(24-17(2)25-20)26-8-5-6-9-26/h3-10,15H,11-14H2,1-2H3.
What are the key properties of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122342399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).