3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide

C20H17N5O2 — CID 142753548

IUPAC3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide
SMILESO=C[C@H](Cc1ccccc1)NC(=O)c1cncn1-c1n[nH]c2ccccc12
InChIInChI=1S/C20H17N5O2/c26-12-15(10-14-6-2-1-3-7-14)22-20(27)18-11-21-13-25(18)19-16-8-4-5-9-17(16)23-24-19/h1-9,11-13,15H,10H2,(H,22,27)(H,23,24)/t15-/m0/s1
InChIKeyDCANBFCGBVSLBR-HNNXBMFYSA-N
MW359.39 g/mol
LogP2.29
Rot. Bonds6

About 3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide

3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide (PubChem CID 142753548) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide
PubChem CID142753548
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide
SMILESO=C[C@H](Cc1ccccc1)NC(=O)c1cncn1-c1n[nH]c2ccccc12
InChIInChI=1S/C20H17N5O2/c26-12-15(10-14-6-2-1-3-7-14)22-20(27)18-11-21-13-25(18)19-16-8-4-5-9-17(16)23-24-19/h1-9,11-13,15H,10H2,(H,22,27)(H,23,24)/t15-/m0/s1
InChIKeyDCANBFCGBVSLBR-HNNXBMFYSA-N
XLogP2.29
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indol-3-yl)imidazole-4-carboxamide
CID 147486998
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
CID 142316945
1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide
CID 86756608
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385592
N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide
CID 18694113
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1-phenylpyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide
CID 142317142
N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indazole-3-carboxamide
CID 145343816
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridazin-3-ylimidazole-4-carboxamide
CID 152805159
1-(1-oxo-3-phenylpropan-2-yl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
CID 173251191

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide (CID 142753548) is 3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide is O=C[C@H](Cc1ccccc1)NC(=O)c1cncn1-c1n[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide?
The InChIKey is DCANBFCGBVSLBR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-12-15(10-14-6-2-1-3-7-14)22-20(27)18-11-21-13-25(18)19-16-8-4-5-9-17(16)23-24-19/h1-9,11-13,15H,10H2,(H,22,27)(H,23,24)/t15-/m0/s1.
What are the key properties of 3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide?
3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-3-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 142753548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).