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

C26H27FN6O2 — CID 53120952

IUPAC4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1
InChIInChI=1S/C26H27FN6O2/c1-18-8-9-23(35-2)22(15-18)30-26(34)32-13-11-31(12-14-32)17-24-29-21-7-4-10-28-25(21)33(24)20-6-3-5-19(27)16-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,30,34)
InChIKeyNJUPYUNWQZNQFQ-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.23
Rot. Bonds5

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

4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide (PubChem CID 53120952) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
PubChem CID53120952
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1
InChIInChI=1S/C26H27FN6O2/c1-18-8-9-23(35-2)22(15-18)30-26(34)32-13-11-31(12-14-32)17-24-29-21-7-4-10-28-25(21)33(24)20-6-3-5-19(27)16-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,30,34)
InChIKeyNJUPYUNWQZNQFQ-UHFFFAOYSA-N
XLogP4.23
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022682
N-(2,4-dimethoxyphenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120938
N-(2,5-difluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53007715
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-(3-methylbutyl)piperazine-1-carboxamide
CID 53085239
methyl 2-[[4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 53206051
4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 53120860
N-(3-chloro-4-methylphenyl)-4-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120897
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 53022709
N-(3,4-dimethylphenyl)-4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120855
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
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine
CID 46389164

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide (CID 53120952) is 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The InChIKey is NJUPYUNWQZNQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-18-8-9-23(35-2)22(15-18)30-26(34)32-13-11-31(12-14-32)17-24-29-21-7-4-10-28-25(21)33(24)20-6-3-5-19(27)16-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,30,34).
What are the key properties of 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 53120952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).