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

C24H21ClF2N6O — CID 53011622

IUPACN-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1
InChIInChI=1S/C24H21ClF2N6O/c25-19-14-17(6-7-20(19)27)29-24(34)32-11-9-31(10-12-32)15-22-30-21-5-2-8-28-23(21)33(22)18-4-1-3-16(26)13-18/h1-8,13-14H,9-12,15H2,(H,29,34)
InChIKeyNLXUVBHFSKDYDQ-UHFFFAOYSA-N
MW482.92 g/mol
LogP4.70
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 53011622) has the molecular formula C24H21ClF2N6O and a molecular weight of 482.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
PubChem CID53011622
Molecular FormulaC24H21ClF2N6O
Molecular Weight482.92 g/mol
Exact Mass482.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1
InChIInChI=1S/C24H21ClF2N6O/c25-19-14-17(6-7-20(19)27)29-24(34)32-11-9-31(10-12-32)15-22-30-21-5-2-8-28-23(21)33(22)18-4-1-3-16(26)13-18/h1-8,13-14H,9-12,15H2,(H,29,34)
InChIKeyNLXUVBHFSKDYDQ-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 ≤ 500482.92
LogP ≤ 54.70
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-methylphenyl)-4-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120897
N-(3,4-dimethylphenyl)-4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120855
4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 53085239
4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 53120952
N-(2,4-dimethoxyphenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120938
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-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 53120860
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 53022709
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine
CID 46389164
N-(3,4-dichlorophenyl)-4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340359
3-(3-fluorophenyl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
CID 46389172

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide (CID 53011622) is N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is NLXUVBHFSKDYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N6O/c25-19-14-17(6-7-20(19)27)29-24(34)32-11-9-31(10-12-32)15-22-30-21-5-2-8-28-23(21)33(22)18-4-1-3-16(26)13-18/h1-8,13-14H,9-12,15H2,(H,29,34).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 482.92 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 N-(3-chloro-4-fluorophenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53011622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).