N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide

C20H19FN4O3 — CID 136601640

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(C=Cc3ccccc3F)c12
InChIInChI=1S/C20H19FN4O3/c1-11(19(22)26)23-20(27)13-8-10-16-17(18(13)28-2)15(24-25-16)9-7-12-5-3-4-6-14(12)21/h3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25)/t11-/m0/s1
InChIKeyCIBYEHOZCWGFSH-NSHDSACASA-N
MW382.40 g/mol
LogP2.48
Rot. Bonds6

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 136601640) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
PubChem CID136601640
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(C=Cc3ccccc3F)c12
InChIInChI=1S/C20H19FN4O3/c1-11(19(22)26)23-20(27)13-8-10-16-17(18(13)28-2)15(24-25-16)9-7-12-5-3-4-6-14(12)21/h3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25)/t11-/m0/s1
InChIKeyCIBYEHOZCWGFSH-NSHDSACASA-N
XLogP2.48
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 135987934
N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide
CID 135617758
3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 135987956
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
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-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 91114407
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-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide
CID 136593738
4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid
CID 59796910
3-[(E)-2-(4-aminophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
CID 135987971
3-[2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136651581
N-cyclopropyl-4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 173122824

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide (CID 136601640) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide is COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2n[nH]c(C=Cc3ccccc3F)c12.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is CIBYEHOZCWGFSH-NSHDSACASA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-11(19(22)26)23-20(27)13-8-10-16-17(18(13)28-2)15(24-25-16)9-7-12-5-3-4-6-14(12)21/h3-11H,1-2H3,(H2,22,26)(H,23,27)(H,24,25)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 136601640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).