N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide

C20H18N4O4 — CID 135617758

IUPACN-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(-c3cc4ccccc4o3)c12
InChIInChI=1S/C20H18N4O4/c1-10(19(21)25)22-20(26)12-7-8-13-16(18(12)27-2)17(24-23-13)15-9-11-5-3-4-6-14(11)28-15/h3-10H,1-2H3,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyRXKCRUXQBGYCDA-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.59
Rot. Bonds5

About N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide

N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 135617758) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide
PubChem CID135617758
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(-c3cc4ccccc4o3)c12
InChIInChI=1S/C20H18N4O4/c1-10(19(21)25)22-20(26)12-7-8-13-16(18(12)27-2)17(24-23-13)15-9-11-5-3-4-6-14(11)28-15/h3-10H,1-2H3,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyRXKCRUXQBGYCDA-UHFFFAOYSA-N
XLogP2.59
TPSA123.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide
CID 135617759
3-(1-benzofuran-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide
CID 135617763
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136601640
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-(cyclopropylmethyl)-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide
CID 135617793
3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589731
3-(1-benzofuran-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide
CID 159225184
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 8702490
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate
CID 66701306
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide (CID 135617758) is N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide is COc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(-c3cc4ccccc4o3)c12.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is RXKCRUXQBGYCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-10(19(21)25)22-20(26)12-7-8-13-16(18(12)27-2)17(24-23-13)15-9-11-5-3-4-6-14(11)28-15/h3-10H,1-2H3,(H2,21,25)(H,22,26)(H,23,24).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 135617758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).