4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide

C24H27F2N5O4 — CID 164784326

IUPAC4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCOc1cc(CNC(=O)c2cc(F)ccc2OC)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C24H27F2N5O4/c1-5-35-18-9-13(11-29-24(33)15-10-14(25)6-7-17(15)34-4)8-16(26)21(18)31-22(23(28)32)19(27)20(30-31)12(2)3/h6-10,12H,5,11,27H2,1-4H3,(H2,28,32)(H,29,33)
InChIKeyDMTUYIDRZLKEGN-UHFFFAOYSA-N
MW487.51 g/mol
LogP3.29
Rot. Bonds9

About 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide

4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 164784326) has the molecular formula C24H27F2N5O4 and a molecular weight of 487.51 g/mol. Its IUPAC name is 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID164784326
Molecular FormulaC24H27F2N5O4
Molecular Weight487.51 g/mol
Exact Mass487.20
IUPAC Name4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCOc1cc(CNC(=O)c2cc(F)ccc2OC)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C24H27F2N5O4/c1-5-35-18-9-13(11-29-24(33)15-10-14(25)6-7-17(15)34-4)8-16(26)21(18)31-22(23(28)32)19(27)20(30-31)12(2)3/h6-10,12H,5,11,27H2,1-4H3,(H2,28,32)(H,29,33)
InChIKeyDMTUYIDRZLKEGN-UHFFFAOYSA-N
XLogP3.29
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-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

4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane
CID 165053519
N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]-3,5-difluorophenyl]methyl]-5-fluoro-2-methylbenzamide
CID 164968126
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide
CID 164784429
4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
CID 164993057
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide;ethane;propane;propan-2-one
CID 166129848
N-[[4-(7-amino-3-butan-2-yl-4-oxo-5H-pyrazolo[4,5-d]pyridazin-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 168727432
N-[[4-[7-amino-3-(3-methylbutan-2-yl)-4-oxo-5H-pyrazolo[4,5-d]pyridazin-1-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 166738993
1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86951630
5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide
CID 167787930
6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 164900727
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 164784326) is 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide is CCOc1cc(CNC(=O)c2cc(F)ccc2OC)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is DMTUYIDRZLKEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O4/c1-5-35-18-9-13(11-29-24(33)15-10-14(25)6-7-17(15)34-4)8-16(26)21(18)31-22(23(28)32)19(27)20(30-31)12(2)3/h6-10,12H,5,11,27H2,1-4H3,(H2,28,32)(H,29,33).
What are the key properties of 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 3.29, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 164784326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).