2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide

C27H31N7O5 — CID 170227701

IUPAC2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(-c2cn[nH]c2)c1=O
InChIInChI=1S/C27H31N7O5/c1-16(35)26(37)32(2)18-6-8-19(9-7-18)34-15-17-11-21(24(39-3)12-23(17)31-34)25(36)30-22-5-4-10-33(27(22)38)20-13-28-29-14-20/h4-5,10-16,18-19,35H,6-9H2,1-3H3,(H,28,29)(H,30,36)/t16-,18?,19?/m1/s1
InChIKeyPLJKLBZJIZNCRS-IPJUCJBFSA-N
MW533.59 g/mol
LogP2.49
Rot. Bonds7

About 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide

2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide (PubChem CID 170227701) has the molecular formula C27H31N7O5 and a molecular weight of 533.59 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide
PubChem CID170227701
Molecular FormulaC27H31N7O5
Molecular Weight533.59 g/mol
Exact Mass533.24
IUPAC Name2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(-c2cn[nH]c2)c1=O
InChIInChI=1S/C27H31N7O5/c1-16(35)26(37)32(2)18-6-8-19(9-7-18)34-15-17-11-21(24(39-3)12-23(17)31-34)25(36)30-22-5-4-10-33(27(22)38)20-13-28-29-14-20/h4-5,10-16,18-19,35H,6-9H2,1-3H3,(H,28,29)(H,30,36)/t16-,18?,19?/m1/s1
InChIKeyPLJKLBZJIZNCRS-IPJUCJBFSA-N
XLogP2.49
TPSA147.37 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.59
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 168287670
US11866405, Example 94
CID 163396505
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
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 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide?
The IUPAC name of 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide (CID 170227701) is 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide?
The canonical SMILES for 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide is COc1cc2nn(C3CCC(N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(-c2cn[nH]c2)c1=O.
What is the InChIKey of 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide?
The InChIKey is PLJKLBZJIZNCRS-IPJUCJBFSA-N. The full InChI is InChI=1S/C27H31N7O5/c1-16(35)26(37)32(2)18-6-8-19(9-7-18)34-15-17-11-21(24(39-3)12-23(17)31-34)25(36)30-22-5-4-10-33(27(22)38)20-13-28-29-14-20/h4-5,10-16,18-19,35H,6-9H2,1-3H3,(H,28,29)(H,30,36)/t16-,18?,19?/m1/s1.
What are the key properties of 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide?
2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide has a molecular weight of 533.59 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide is sourced from PubChem (CID 170227701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).