5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide

C25H22F3N5O — CID 156771226

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)n1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc21
InChIInChI=1S/C25H22F3N5O/c26-17-5-3-16(4-6-17)11-12-29-25(34)33-15-30-21-9-10-23(31-24(21)33)32-13-1-2-22(32)19-14-18(27)7-8-20(19)28/h3-10,14-15,22H,1-2,11-13H2,(H,29,34)/t22-/m1/s1
InChIKeyJXLIZZFPOYSBRA-JOCHJYFZSA-N
MW465.48 g/mol
LogP4.99
Rot. Bonds5

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide (PubChem CID 156771226) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide
PubChem CID156771226
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)n1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc21
InChIInChI=1S/C25H22F3N5O/c26-17-5-3-16(4-6-17)11-12-29-25(34)33-15-30-21-9-10-23(31-24(21)33)32-13-1-2-22(32)19-14-18(27)7-8-20(19)28/h3-10,14-15,22H,1-2,11-13H2,(H,29,34)/t22-/m1/s1
InChIKeyJXLIZZFPOYSBRA-JOCHJYFZSA-N
XLogP4.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide
CID 175129827
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139449703
8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine
CID 146611650
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139449700
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449642
2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480328
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449662
2-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-oxoacetic acid
CID 58386308
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480598
5-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449663
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139449691
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid
CID 146257068

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide (CID 156771226) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide is O=C(NCCc1ccc(F)cc1)n1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc21.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide?
The InChIKey is JXLIZZFPOYSBRA-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H22F3N5O/c26-17-5-3-16(4-6-17)11-12-29-25(34)33-15-30-21-9-10-23(31-24(21)33)32-13-1-2-22(32)19-14-18(27)7-8-20(19)28/h3-10,14-15,22H,1-2,11-13H2,(H,29,34)/t22-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide is sourced from PubChem (CID 156771226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).