1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide

C27H28N4O2 — CID 71050230

IUPAC1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide
SMILESO=C(NCCc1ccncc1)c1ccc2c(c1)c(=O)n(-c1ccccc1)n2C1CCCCC1
InChIInChI=1S/C27H28N4O2/c32-26(29-18-15-20-13-16-28-17-14-20)21-11-12-25-24(19-21)27(33)31(23-9-5-2-6-10-23)30(25)22-7-3-1-4-8-22/h2,5-6,9-14,16-17,19,22H,1,3-4,7-8,15,18H2,(H,29,32)
InChIKeyXRHLNFIOHMXBFQ-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.66
Rot. Bonds6

About 1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide

1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide (PubChem CID 71050230) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide
PubChem CID71050230
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide
SMILESO=C(NCCc1ccncc1)c1ccc2c(c1)c(=O)n(-c1ccccc1)n2C1CCCCC1
InChIInChI=1S/C27H28N4O2/c32-26(29-18-15-20-13-16-28-17-14-20)21-11-12-25-24(19-21)27(33)31(23-9-5-2-6-10-23)30(25)22-7-3-1-4-8-22/h2,5-6,9-14,16-17,19,22H,1,3-4,7-8,15,18H2,(H,29,32)
InChIKeyXRHLNFIOHMXBFQ-UHFFFAOYSA-N
XLogP4.66
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide (CID 71050230) is 1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide is O=C(NCCc1ccncc1)c1ccc2c(c1)c(=O)n(-c1ccccc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide?
The InChIKey is XRHLNFIOHMXBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-26(29-18-15-20-13-16-28-17-14-20)21-11-12-25-24(19-21)27(33)31(23-9-5-2-6-10-23)30(25)22-7-3-1-4-8-22/h2,5-6,9-14,16-17,19,22H,1,3-4,7-8,15,18H2,(H,29,32).
What are the key properties of 1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide?
1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-oxo-2-phenyl-N-(2-pyridin-4-ylethyl)indazole-5-carboxamide is sourced from PubChem (CID 71050230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).