N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide

C25H23N5O4 — CID 91115437

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(C=Cc3cccc(=O)[nH]3)c12
InChIInChI=1S/C25H23N5O4/c1-34-23-17(25(33)28-20(24(26)32)14-15-6-3-2-4-7-15)11-13-19-22(23)18(29-30-19)12-10-16-8-5-9-21(31)27-16/h2-13,20H,14H2,1H3,(H2,26,32)(H,27,31)(H,28,33)(H,29,30)
InChIKeyFCNVEMWFDCSHNV-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.26
Rot. Bonds8

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide (PubChem CID 91115437) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide
PubChem CID91115437
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(C=Cc3cccc(=O)[nH]3)c12
InChIInChI=1S/C25H23N5O4/c1-34-23-17(25(33)28-20(24(26)32)14-15-6-3-2-4-7-15)11-13-19-22(23)18(29-30-19)12-10-16-8-5-9-21(31)27-16/h2-13,20H,14H2,1H3,(H2,26,32)(H,27,31)(H,28,33)(H,29,30)
InChIKeyFCNVEMWFDCSHNV-UHFFFAOYSA-N
XLogP2.26
TPSA142.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-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

3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 159265239
3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 135987956
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-phenylpropanoate
CID 59949188
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 161122132
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide
CID 56782033
methyl 2-[(4-bromonaphthalene-1-carbonyl)amino]-3-phenylpropanoate
CID 20624242
N-cyclopropyl-4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 173122824
(2S)-3-phenyl-2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoylamino]propanamide
CID 91131589
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 146128298
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 52766251

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide (CID 91115437) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(C=Cc3cccc(=O)[nH]3)c12.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide?
The InChIKey is FCNVEMWFDCSHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-34-23-17(25(33)28-20(24(26)32)14-15-6-3-2-4-7-15)11-13-19-22(23)18(29-30-19)12-10-16-8-5-9-21(31)27-16/h2-13,20H,14H2,1H3,(H2,26,32)(H,27,31)(H,28,33)(H,29,30).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 91115437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).