2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H25N7O — CID 122297709

IUPAC2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(Nc2cc(Nc3ccc(NC(=O)c4c(C)nc5ccccn45)cc3)nc(C)n2)cc1
InChIInChI=1S/C27H25N7O/c1-17-7-9-20(10-8-17)31-23-16-24(30-19(3)29-23)32-21-11-13-22(14-12-21)33-27(35)26-18(2)28-25-6-4-5-15-34(25)26/h4-16H,1-3H3,(H,33,35)(H2,29,30,31,32)
InChIKeyVKGQPUOOYUGTKL-UHFFFAOYSA-N
MW463.55 g/mol
LogP5.79
Rot. Bonds6

About 2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122297709) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122297709
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC Name2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(Nc2cc(Nc3ccc(NC(=O)c4c(C)nc5ccccn45)cc3)nc(C)n2)cc1
InChIInChI=1S/C27H25N7O/c1-17-7-9-20(10-8-17)31-23-16-24(30-19(3)29-23)32-21-11-13-22(14-12-21)33-27(35)26-18(2)28-25-6-4-5-15-34(25)26/h4-16H,1-3H3,(H,33,35)(H2,29,30,31,32)
InChIKeyVKGQPUOOYUGTKL-UHFFFAOYSA-N
XLogP5.79
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348701
2-methyl-N-[4-(propanoylamino)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 649714
1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea
CID 10088570
2-chloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 46268011
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43952298
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122297707
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 50748504
N-[3-(furan-2-carbonylamino)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 3755550
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-3-pyrazol-1-ylbenzamide
CID 122297788
2,4-difluoro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122297586

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122297709) is 2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(Nc2cc(Nc3ccc(NC(=O)c4c(C)nc5ccccn45)cc3)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VKGQPUOOYUGTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-17-7-9-20(10-8-17)31-23-16-24(30-19(3)29-23)32-21-11-13-22(14-12-21)33-27(35)26-18(2)28-25-6-4-5-15-34(25)26/h4-16H,1-3H3,(H,33,35)(H2,29,30,31,32).
What are the key properties of 2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 5.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122297709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).