6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide

C26H27N5O4 — CID 170227781

IUPAC6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(n4ccccc4=O)CC3)cc2cc1C(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C26H27N5O4/c1-29-12-5-6-21(26(29)34)27-25(33)20-14-17-16-31(28-22(17)15-23(20)35-2)19-10-8-18(9-11-19)30-13-4-3-7-24(30)32/h3-7,12-16,18-19H,8-11H2,1-2H3,(H,27,33)
InChIKeyPGQKQMFRLFTWHA-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.51
Rot. Bonds5

About 6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide

6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide (PubChem CID 170227781) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
PubChem CID170227781
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(n4ccccc4=O)CC3)cc2cc1C(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C26H27N5O4/c1-29-12-5-6-21(26(29)34)27-25(33)20-14-17-16-31(28-22(17)15-23(20)35-2)19-10-8-18(9-11-19)30-13-4-3-7-24(30)32/h3-7,12-16,18-19H,8-11H2,1-2H3,(H,27,33)
InChIKeyPGQKQMFRLFTWHA-UHFFFAOYSA-N
XLogP3.51
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide?
The IUPAC name of 6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide (CID 170227781) is 6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide.
What is the SMILES notation for 6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide?
The canonical SMILES for 6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide is COc1cc2nn(C3CCC(n4ccccc4=O)CC3)cc2cc1C(=O)Nc1cccn(C)c1=O.
What is the InChIKey of 6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide?
The InChIKey is PGQKQMFRLFTWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-29-12-5-6-21(26(29)34)27-25(33)20-14-17-16-31(28-22(17)15-23(20)35-2)19-10-8-18(9-11-19)30-13-4-3-7-24(30)32/h3-7,12-16,18-19H,8-11H2,1-2H3,(H,27,33).
What are the key properties of 6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide?
6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide is sourced from PubChem (CID 170227781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).