4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide

C27H30N6O — CID 53022709

IUPAC4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C27H30N6O/c1-19-6-8-22(9-7-19)29-27(34)32-13-11-31(12-14-32)18-25-30-24-5-4-10-28-26(24)33(25)23-16-20(2)15-21(3)17-23/h4-10,15-17H,11-14,18H2,1-3H3,(H,29,34)
InChIKeyGXFLXTGJKSAKBP-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.70
Rot. Bonds4

About 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide

4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 53022709) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID53022709
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C27H30N6O/c1-19-6-8-22(9-7-19)29-27(34)32-13-11-31(12-14-32)18-25-30-24-5-4-10-28-26(24)33(25)23-16-20(2)15-21(3)17-23/h4-10,15-17H,11-14,18H2,1-3H3,(H,29,34)
InChIKeyGXFLXTGJKSAKBP-UHFFFAOYSA-N
XLogP4.70
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120897
N-(2,3-dihydro-1H-inden-5-yl)-4-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120922
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 53022727
N-(3,4-dimethylphenyl)-4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120855
N-(2-methoxy-5-methylphenyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022682
4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 53120860
N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022675
N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53011622
4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 53120952
methyl 2-[[4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 53206051
N-(2,5-difluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53007715
N-butan-2-yl-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
CID 50830761

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide (CID 53022709) is 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3cc(C)cc(C)c3)CC2)cc1.
What is the InChIKey of 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is GXFLXTGJKSAKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-19-6-8-22(9-7-19)29-27(34)32-13-11-31(12-14-32)18-25-30-24-5-4-10-28-26(24)33(25)23-16-20(2)15-21(3)17-23/h4-10,15-17H,11-14,18H2,1-3H3,(H,29,34).
What are the key properties of 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 53022709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).