3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide

C24H26FN5O3 — CID 175350982

IUPAC3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(F)cc1N(C=O)Cc1ccc(-c2nc(C3CCCC3)n(N)c2C(N)=O)cc1
InChIInChI=1S/C24H26FN5O3/c1-33-20-11-10-18(25)12-19(20)29(14-31)13-15-6-8-16(9-7-15)21-22(23(26)32)30(27)24(28-21)17-4-2-3-5-17/h6-12,14,17H,2-5,13,27H2,1H3,(H2,26,32)
InChIKeyJDFXXLATXPIUMR-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.33
Rot. Bonds8

About 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide

3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide (PubChem CID 175350982) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide
PubChem CID175350982
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(F)cc1N(C=O)Cc1ccc(-c2nc(C3CCCC3)n(N)c2C(N)=O)cc1
InChIInChI=1S/C24H26FN5O3/c1-33-20-11-10-18(25)12-19(20)29(14-31)13-15-6-8-16(9-7-15)21-22(23(26)32)30(27)24(28-21)17-4-2-3-5-17/h6-12,14,17H,2-5,13,27H2,1H3,(H2,26,32)
InChIKeyJDFXXLATXPIUMR-UHFFFAOYSA-N
XLogP3.33
TPSA116.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-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

3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288215
5-amino-1-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]-3-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]pyrazole-4-carboxamide
CID 175207300
3-amino-2-[(1S,2S)-2-fluorocyclopropyl]-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288177
tert-butyl 3-[3-[4-[5-amino-4-cyano-3-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]pyrazol-1-yl]piperidin-1-yl]azetidin-1-yl]azetidine-1-carboxylate
CID 175196645
3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide
CID 175080909
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 40631846
3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide
CID 175076082
5-amino-1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248194
5-amino-1-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248424
2-(3,4-dimethoxyphenyl)-1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 110091968
3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 167674083
N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 175750648

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide (CID 175350982) is 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide is COc1ccc(F)cc1N(C=O)Cc1ccc(-c2nc(C3CCCC3)n(N)c2C(N)=O)cc1.
What is the InChIKey of 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide?
The InChIKey is JDFXXLATXPIUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-33-20-11-10-18(25)12-19(20)29(14-31)13-15-6-8-16(9-7-15)21-22(23(26)32)30(27)24(28-21)17-4-2-3-5-17/h6-12,14,17H,2-5,13,27H2,1H3,(H2,26,32).
What are the key properties of 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide?
3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 175350982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).