N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide

C21H19N5O2 — CID 167653238

IUPACN-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide
SMILESCCC(=O)Cc1cn(-c2ccccc2)c(NC(=O)c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C21H19N5O2/c1-2-18(27)11-16-13-26(17-6-4-3-5-7-17)21(23-16)24-20(28)14-8-9-19-15(10-14)12-22-25-19/h3-10,12-13H,2,11H2,1H3,(H,22,25)(H,23,24,28)
InChIKeyQWPNNRXFTJGGLV-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.52
Rot. Bonds6

About N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide

N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide (PubChem CID 167653238) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide
PubChem CID167653238
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide
SMILESCCC(=O)Cc1cn(-c2ccccc2)c(NC(=O)c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C21H19N5O2/c1-2-18(27)11-16-13-26(17-6-4-3-5-7-17)21(23-16)24-20(28)14-8-9-19-15(10-14)12-22-25-19/h3-10,12-13H,2,11H2,1H3,(H,22,25)(H,23,24,28)
InChIKeyQWPNNRXFTJGGLV-UHFFFAOYSA-N
XLogP3.52
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide
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N-methyl-1H-indazole-5-carboxamide
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N-naphthalen-2-yl-1H-indazole-5-carboxamide
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CID 22933425
N-(2-phenylethyl)-1H-indazole-5-carboxamide
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N-(3-piperidin-1-ylphenyl)-1H-indazole-5-carboxamide
CID 166219800
3-(1H-indazole-5-carbonylamino)butanoic acid
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3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
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CID 63929072

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide (CID 167653238) is N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide is CCC(=O)Cc1cn(-c2ccccc2)c(NC(=O)c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide?
The InChIKey is QWPNNRXFTJGGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-18(27)11-16-13-26(17-6-4-3-5-7-17)21(23-16)24-20(28)14-8-9-19-15(10-14)12-22-25-19/h3-10,12-13H,2,11H2,1H3,(H,22,25)(H,23,24,28).
What are the key properties of N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide?
N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxobutyl)-1-phenylimidazol-2-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 167653238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).