N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

C24H19ClF3N5O — CID 90404017

IUPACN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1cnc2nc(-c3cc(NC(=O)N4CC(F)(F)CC4c4cccc(F)c4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C24H19ClF3N5O/c1-13-7-19-22(29-11-13)32-21(31-19)17-9-16(5-6-18(17)25)30-23(34)33-12-24(27,28)10-20(33)14-3-2-4-15(26)8-14/h2-9,11,20H,10,12H2,1H3,(H,30,34)(H,29,31,32)
InChIKeyPMXMSPULKSHAQC-UHFFFAOYSA-N
MW485.90 g/mol
LogP6.34
Rot. Bonds3

About N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 90404017) has the molecular formula C24H19ClF3N5O and a molecular weight of 485.90 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID90404017
Molecular FormulaC24H19ClF3N5O
Molecular Weight485.90 g/mol
Exact Mass485.12
IUPAC NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1cnc2nc(-c3cc(NC(=O)N4CC(F)(F)CC4c4cccc(F)c4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C24H19ClF3N5O/c1-13-7-19-22(29-11-13)32-21(31-19)17-9-16(5-6-18(17)25)30-23(34)33-12-24(27,28)10-20(33)14-3-2-4-15(26)8-14/h2-9,11,20H,10,12H2,1H3,(H,30,34)(H,29,31,32)
InChIKeyPMXMSPULKSHAQC-UHFFFAOYSA-N
XLogP6.34
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.90
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 68234726
(3S)-1-[3-(3-chloro-5-fluorophenyl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
CID 139392711
1-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluoro-1-methylcyclohexyl)urea
CID 146257099
N-[4-fluoro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 72710598
3-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1-methyl-1-propylurea
CID 155520181
3-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1-methyl-1-(2-methylpropyl)urea
CID 155531899
1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-propylimidazol-2-one
CID 137368591
1-(2,4-Difluoro-phenyl)-3-[(R)-2-(1H-indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-urea
CID 10411795
1-(3-Chlorophenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11525669
1-(2-Chloro-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11541116
2-[4-(3-Chloropyridin-2-yl)piperazin-1-yl]-6-trifluoromethyl-1H-benzoimidazole
CID 11710679
1-(3-(8-(Methyl(pyridin-4-ylmethyl)amino)imidazo[1,2-a]pyrazin-6-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 11756320

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (CID 90404017) is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is Cc1cnc2nc(-c3cc(NC(=O)N4CC(F)(F)CC4c4cccc(F)c4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is PMXMSPULKSHAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O/c1-13-7-19-22(29-11-13)32-21(31-19)17-9-16(5-6-18(17)25)30-23(34)33-12-24(27,28)10-20(33)14-3-2-4-15(26)8-14/h2-9,11,20H,10,12H2,1H3,(H,30,34)(H,29,31,32).
What are the key properties of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 485.90 g/mol, XLogP of 6.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4,4-difluoro-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 90404017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).