N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide

C27H33N7O5 — CID 169132504

IUPACN-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide
SMILESCN(C(=O)CO)C1CCCCC1.COc1cc2[nH]ncc2cc1C(=O)Nc1cccn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C18H16N6O3.C9H17NO2/c1-23-10-12(9-20-23)24-5-3-4-14(18(24)26)21-17(25)13-6-11-8-19-22-15(11)7-16(13)27-2;1-10(9(12)7-11)8-5-3-2-4-6-8/h3-10H,1-2H3,(H,19,22)(H,21,25);8,11H,2-7H2,1H3
InChIKeyHHQYLZCEAYZVIW-UHFFFAOYSA-N
MW535.61 g/mol
LogP2.48
Rot. Bonds6

About N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide

N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide (PubChem CID 169132504) has the molecular formula C27H33N7O5 and a molecular weight of 535.61 g/mol. Its IUPAC name is N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide
PubChem CID169132504
Molecular FormulaC27H33N7O5
Molecular Weight535.61 g/mol
Exact Mass535.25
IUPAC NameN-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide
SMILESCN(C(=O)CO)C1CCCCC1.COc1cc2[nH]ncc2cc1C(=O)Nc1cccn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C18H16N6O3.C9H17NO2/c1-23-10-12(9-20-23)24-5-3-4-14(18(24)26)21-17(25)13-6-11-8-19-22-15(11)7-16(13)27-2;1-10(9(12)7-11)8-5-3-2-4-6-8/h3-10H,1-2H3,(H,19,22)(H,21,25);8,11H,2-7H2,1H3
InChIKeyHHQYLZCEAYZVIW-UHFFFAOYSA-N
XLogP2.48
TPSA147.37 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.61
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methylpyrazol-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884798
US11866405, Example 58
CID 164791996
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
CID 155438892
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 164554543
N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 164554562
N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
CID 169132465
US20240300923, Example 20
CID 169132490
Irak4-IN-30
CID 170227690
2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide
CID 170227701
6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
CID 170227781
2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
CID 170227839
US11866405, Example 59
CID 163396424

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide (CID 169132504) is N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide is CN(C(=O)CO)C1CCCCC1.COc1cc2[nH]ncc2cc1C(=O)Nc1cccn(-c2cnn(C)c2)c1=O.
What is the InChIKey of N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide?
The InChIKey is HHQYLZCEAYZVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3.C9H17NO2/c1-23-10-12(9-20-23)24-5-3-4-14(18(24)26)21-17(25)13-6-11-8-19-22-15(11)7-16(13)27-2;1-10(9(12)7-11)8-5-3-2-4-6-8/h3-10H,1-2H3,(H,19,22)(H,21,25);8,11H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide?
N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide has a molecular weight of 535.61 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-hydroxy-N-methylacetamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 169132504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).