N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide

C23H22ClF2N5O3 — CID 156807587

IUPACN-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(N)C4)c(Cl)c3)n2C)c(F)c1F
InChIInChI=1S/C23H22ClF2N5O3/c1-30-17(15-5-6-18(34-2)20(26)19(15)25)10-28-21(30)22(32)29-13-3-4-14(16(24)9-13)23(33)31-8-7-12(27)11-31/h3-6,9-10,12H,7-8,11,27H2,1-2H3,(H,29,32)
InChIKeyFKALEYPGSMEACS-UHFFFAOYSA-N
MW489.91 g/mol
LogP3.45
Rot. Bonds5

About N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide

N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide (PubChem CID 156807587) has the molecular formula C23H22ClF2N5O3 and a molecular weight of 489.91 g/mol. Its IUPAC name is N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
PubChem CID156807587
Molecular FormulaC23H22ClF2N5O3
Molecular Weight489.91 g/mol
Exact Mass489.14
IUPAC NameN-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(N)C4)c(Cl)c3)n2C)c(F)c1F
InChIInChI=1S/C23H22ClF2N5O3/c1-30-17(15-5-6-18(34-2)20(26)19(15)25)10-28-21(30)22(32)29-13-3-4-14(16(24)9-13)23(33)31-8-7-12(27)11-31/h3-6,9-10,12H,7-8,11,27H2,1-2H3,(H,29,32)
InChIKeyFKALEYPGSMEACS-UHFFFAOYSA-N
XLogP3.45
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.91
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-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

N-[4-[4-(aminomethyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 156807620
N-[4-[4-(3-aminoazetidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 156807780
N-[3-chloro-4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 156807436
N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide;hydrochloride
CID 166463525
N-[4-[3-[4-(2-aminoethoxy)-2-oxobutyl]pyrrolidine-1-carbonyl]-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide;formic acid
CID 167689017
3-[2-[[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid
CID 172812705
N-[4-[4-(2-aminoacetyl)piperazine-1-carbonyl]-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 156807902
N-[4-[4-[3-(aminomethyl)cyclobutanecarbonyl]piperazine-1-carbonyl]-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 156807731
N-(azetidin-3-ylmethyl)-1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 156807441
N-[3-chloro-4-[4-(2-piperidin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 165176957
N-[3-chloro-4-[4-[(3R)-3-(hydroxymethyl)piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 165176881
N-[3-chloro-4-[4-[3-(dimethylamino)propanoylamino]piperidine-1-carbonyl]phenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 156807903

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide (CID 156807587) is N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide is COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(N)C4)c(Cl)c3)n2C)c(F)c1F.
What is the InChIKey of N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide?
The InChIKey is FKALEYPGSMEACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF2N5O3/c1-30-17(15-5-6-18(34-2)20(26)19(15)25)10-28-21(30)22(32)29-13-3-4-14(16(24)9-13)23(33)31-8-7-12(27)11-31/h3-6,9-10,12H,7-8,11,27H2,1-2H3,(H,29,32).
What are the key properties of N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide?
N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide has a molecular weight of 489.91 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopyrrolidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 156807587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).