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

C26H30N6O4 — CID 170227839

IUPAC2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(n4ccnc4C(C)O)CC3)cc2cc1C(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C26H30N6O4/c1-16(33)24-27-10-12-31(24)18-6-8-19(9-7-18)32-15-17-13-20(23(36-3)14-22(17)29-32)25(34)28-21-5-4-11-30(2)26(21)35/h4-5,10-16,18-19,33H,6-9H2,1-3H3,(H,28,34)
InChIKeyBOJZTCLQTZXQSX-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.60
Rot. Bonds6

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

2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide (PubChem CID 170227839) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
PubChem CID170227839
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(n4ccnc4C(C)O)CC3)cc2cc1C(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C26H30N6O4/c1-16(33)24-27-10-12-31(24)18-6-8-19(9-7-18)32-15-17-13-20(23(36-3)14-22(17)29-32)25(34)28-21-5-4-11-30(2)26(21)35/h4-5,10-16,18-19,33H,6-9H2,1-3H3,(H,28,34)
InChIKeyBOJZTCLQTZXQSX-UHFFFAOYSA-N
XLogP3.60
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide?
The IUPAC name of 2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide (CID 170227839) is 2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide is COc1cc2nn(C3CCC(n4ccnc4C(C)O)CC3)cc2cc1C(=O)Nc1cccn(C)c1=O.
What is the InChIKey of 2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide?
The InChIKey is BOJZTCLQTZXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-16(33)24-27-10-12-31(24)18-6-8-19(9-7-18)32-15-17-13-20(23(36-3)14-22(17)29-32)25(34)28-21-5-4-11-30(2)26(21)35/h4-5,10-16,18-19,33H,6-9H2,1-3H3,(H,28,34).
What are the key properties of 2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide?
2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide is sourced from PubChem (CID 170227839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).