N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide

C29H24Cl2FN7O3 — CID 166354008

IUPACN-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1ccc(F)c(-c2cn(Cc3cn4cc(Cl)ccc4n3)nn2)c1
InChIInChI=1S/C29H24Cl2FN7O3/c1-42-26-8-4-17(30)11-22(26)29(41)39-10-2-3-25(39)28(40)34-19-6-7-23(32)21(12-19)24-16-38(36-35-24)15-20-14-37-13-18(31)5-9-27(37)33-20/h4-9,11-14,16,25H,2-3,10,15H2,1H3,(H,34,40)
InChIKeySTBIVGRDFLPOJF-UHFFFAOYSA-N
MW608.46 g/mol
LogP5.34
Rot. Bonds7

About N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide

N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 166354008) has the molecular formula C29H24Cl2FN7O3 and a molecular weight of 608.46 g/mol. Its IUPAC name is N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID166354008
Molecular FormulaC29H24Cl2FN7O3
Molecular Weight608.46 g/mol
Exact Mass607.13
IUPAC NameN-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1ccc(F)c(-c2cn(Cc3cn4cc(Cl)ccc4n3)nn2)c1
InChIInChI=1S/C29H24Cl2FN7O3/c1-42-26-8-4-17(30)11-22(26)29(41)39-10-2-3-25(39)28(40)34-19-6-7-23(32)21(12-19)24-16-38(36-35-24)15-20-14-37-13-18(31)5-9-27(37)33-20/h4-9,11-14,16,25H,2-3,10,15H2,1H3,(H,34,40)
InChIKeySTBIVGRDFLPOJF-UHFFFAOYSA-N
XLogP5.34
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 55625292
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
N-(6-amino-3-pyridinyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119515458
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 55625538
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 47027021
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95764885
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275225
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275224

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide (CID 166354008) is N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1ccc(F)c(-c2cn(Cc3cn4cc(Cl)ccc4n3)nn2)c1.
What is the InChIKey of N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is STBIVGRDFLPOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2FN7O3/c1-42-26-8-4-17(30)11-22(26)29(41)39-10-2-3-25(39)28(40)34-19-6-7-23(32)21(12-19)24-16-38(36-35-24)15-20-14-37-13-18(31)5-9-27(37)33-20/h4-9,11-14,16,25H,2-3,10,15H2,1H3,(H,34,40).
What are the key properties of N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide?
N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 608.46 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166354008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).