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

C24H26FN5O3 — CID 163288215

IUPAC3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(C3CCCC3)n(N)c2C(N)=O)cc1
InChIInChI=1S/C24H26FN5O3/c1-33-19-11-10-17(25)12-18(19)24(32)28-13-14-6-8-15(9-7-14)20-21(22(26)31)30(27)23(29-20)16-4-2-3-5-16/h6-12,16H,2-5,13,27H2,1H3,(H2,26,31)(H,28,32)
InChIKeyOQUZMSFIGYCDCD-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.10
Rot. Bonds7

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

3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide (PubChem CID 163288215) 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-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
PubChem CID163288215
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(C3CCCC3)n(N)c2C(N)=O)cc1
InChIInChI=1S/C24H26FN5O3/c1-33-19-11-10-17(25)12-18(19)24(32)28-13-14-6-8-15(9-7-14)20-21(22(26)31)30(27)23(29-20)16-4-2-3-5-16/h6-12,16H,2-5,13,27H2,1H3,(H2,26,31)(H,28,32)
InChIKeyOQUZMSFIGYCDCD-UHFFFAOYSA-N
XLogP3.10
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-[(1S,2S)-2-fluorocyclopropyl]-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288177
3-amino-2-cyclopentyl-5-[4-[(5-fluoro-N-formyl-2-methoxyanilino)methyl]phenyl]imidazole-4-carboxamide
CID 175350982
6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 164900727
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
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
3-(ethylamino)-2-(2-fluorocyclopropyl)-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxylic acid
CID 175350986
N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 166519054
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide
CID 164784429
N-[[4-[8-amino-3-(oxan-3-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]methyl]-5-fluoro-2-(trideuteriomethoxy)benzamide
CID 168817921
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(1-piperidin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 162719658

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of 3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide (CID 163288215) is 3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for 3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(C3CCCC3)n(N)c2C(N)=O)cc1.
What is the InChIKey of 3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide?
The InChIKey is OQUZMSFIGYCDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-33-19-11-10-17(25)12-18(19)24(32)28-13-14-6-8-15(9-7-14)20-21(22(26)31)30(27)23(29-20)16-4-2-3-5-16/h6-12,16H,2-5,13,27H2,1H3,(H2,26,31)(H,28,32).
What are the key properties of 3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide?
3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 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-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 163288215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).