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

C23H29FN6O — CID 53085239

IUPAC4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1
InChIInChI=1S/C23H29FN6O/c1-17(2)8-10-26-23(31)29-13-11-28(12-14-29)16-21-27-20-7-4-9-25-22(20)30(21)19-6-3-5-18(24)15-19/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,26,31)
InChIKeyNFDFEFVUKSBZPK-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.43
Rot. Bonds6

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

4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 53085239) has the molecular formula C23H29FN6O and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID53085239
Molecular FormulaC23H29FN6O
Molecular Weight424.52 g/mol
Exact Mass424.24
IUPAC Name4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1
InChIInChI=1S/C23H29FN6O/c1-17(2)8-10-26-23(31)29-13-11-28(12-14-29)16-21-27-20-7-4-9-25-22(20)30(21)19-6-3-5-18(24)15-19/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,26,31)
InChIKeyNFDFEFVUKSBZPK-UHFFFAOYSA-N
XLogP3.43
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2,4-dimethoxyphenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120938
4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 53120952
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine
CID 46389164
N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
CID 50830755
N-butan-2-yl-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
CID 50830761
3-(3-fluorophenyl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
CID 46389172
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-[(2S)-butan-2-yl]-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 95089700
3-(3-fluorophenyl)-2-[[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
CID 46389166

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide (CID 53085239) is 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide is CC(C)CCNC(=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-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is NFDFEFVUKSBZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O/c1-17(2)8-10-26-23(31)29-13-11-28(12-14-29)16-21-27-20-7-4-9-25-22(20)30(21)19-6-3-5-18(24)15-19/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,26,31).
What are the key properties of 4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide?
4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 53085239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).