N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide

C24H24F2N4O3 — CID 129270240

IUPACN-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(N)c2C=O)c(F)c1
InChIInChI=1S/C24H24F2N4O3/c1-33-21-9-7-15(25)11-18(21)24(32)28-12-14-6-8-17(20(26)10-14)22-19(13-31)23(27)30(29-22)16-4-2-3-5-16/h6-11,13,16H,2-5,12,27H2,1H3,(H,28,32)
InChIKeyZRYNZCGVGVQLFQ-UHFFFAOYSA-N
MW454.48 g/mol
LogP4.28
Rot. Bonds7

About N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide

N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide (PubChem CID 129270240) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
PubChem CID129270240
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC NameN-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(N)c2C=O)c(F)c1
InChIInChI=1S/C24H24F2N4O3/c1-33-21-9-7-15(25)11-18(21)24(32)28-12-14-6-8-17(20(26)10-14)22-19(13-31)23(27)30(29-22)16-4-2-3-5-16/h6-11,13,16H,2-5,12,27H2,1H3,(H,28,32)
InChIKeyZRYNZCGVGVQLFQ-UHFFFAOYSA-N
XLogP4.28
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide with MolForge

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Related Compounds

N-[[4-[5-amino-4-(aminomethyl)-1-cyclopentylpyrazol-3-yl]-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 170415627
N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 155106514
N-[[4-[5-amino-4-cyano-1-(oxan-4-yl)pyrazol-3-yl]-3-fluorophenyl]methyl]-2-methoxybenzamide
CID 137358739
N-[[4-[5-amino-4-cyano-1-[(3R)-oxan-3-yl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358646
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(1-piperidin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 162719658
N-[[4-[5-amino-4-cyano-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358779
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
N-[[4-[4-amino-1-[1-(4-formylphenyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 164851246
N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 166519054
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
N-[[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 164851109
N-[[4-[4-amino-1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 176774266

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide (CID 129270240) is N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(N)c2C=O)c(F)c1.
What is the InChIKey of N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is ZRYNZCGVGVQLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-33-21-9-7-15(25)11-18(21)24(32)28-12-14-6-8-17(20(26)10-14)22-19(13-31)23(27)30(29-22)16-4-2-3-5-16/h6-11,13,16H,2-5,12,27H2,1H3,(H,28,32).
What are the key properties of N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 454.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 129270240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).