N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide

C20H22N6O3 — CID 154823556

IUPACN-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide
SMILESO=C(Cn1ncc2ccccc21)N[C@@H]1CCC[C@@H](NC(=O)c2cncc(=O)[nH]2)C1
InChIInChI=1S/C20H22N6O3/c27-18-11-21-10-16(25-18)20(29)24-15-6-3-5-14(8-15)23-19(28)12-26-17-7-2-1-4-13(17)9-22-26/h1-2,4,7,9-11,14-15H,3,5-6,8,12H2,(H,23,28)(H,24,29)(H,25,27)/t14-,15-/m1/s1
InChIKeyXRUHHPRDDJDIFU-HUUCEWRRSA-N
MW394.44 g/mol
LogP0.98
Rot. Bonds5

About N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide

N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide (PubChem CID 154823556) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide
PubChem CID154823556
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide
SMILESO=C(Cn1ncc2ccccc21)N[C@@H]1CCC[C@@H](NC(=O)c2cncc(=O)[nH]2)C1
InChIInChI=1S/C20H22N6O3/c27-18-11-21-10-16(25-18)20(29)24-15-6-3-5-14(8-15)23-19(28)12-26-17-7-2-1-4-13(17)9-22-26/h1-2,4,7,9-11,14-15H,3,5-6,8,12H2,(H,23,28)(H,24,29)(H,25,27)/t14-,15-/m1/s1
InChIKeyXRUHHPRDDJDIFU-HUUCEWRRSA-N
XLogP0.98
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide with MolForge

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Related Compounds

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CID 128989178
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CID 22510003
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(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
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2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215204
2-indazol-1-yl-N-[[(1R,2R)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
CID 96539483
2-indazol-1-yl-N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
CID 96539486
1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324189
1-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324191

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide?
The IUPAC name of N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide (CID 154823556) is N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide is O=C(Cn1ncc2ccccc21)N[C@@H]1CCC[C@@H](NC(=O)c2cncc(=O)[nH]2)C1.
What is the InChIKey of N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide?
The InChIKey is XRUHHPRDDJDIFU-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H22N6O3/c27-18-11-21-10-16(25-18)20(29)24-15-6-3-5-14(8-15)23-19(28)12-26-17-7-2-1-4-13(17)9-22-26/h1-2,4,7,9-11,14-15H,3,5-6,8,12H2,(H,23,28)(H,24,29)(H,25,27)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide?
N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[(2-indazol-1-ylacetyl)amino]cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 154823556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).