N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide

C28H34N4O3 — CID 177065400

IUPACN-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide
SMILESCCCC1CCC(n2cc3cc(C(=O)Nc4cccn(C5CC5)c4=O)c(OC4CC4)cc3n2)CC1
InChIInChI=1S/C28H34N4O3/c1-2-4-18-6-8-21(9-7-18)32-17-19-15-23(26(16-25(19)30-32)35-22-12-13-22)27(33)29-24-5-3-14-31(28(24)34)20-10-11-20/h3,5,14-18,20-22H,2,4,6-13H2,1H3,(H,29,33)
InChIKeyLOQAZYLEYWFTOZ-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.86
Rot. Bonds8

About N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide

N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide (PubChem CID 177065400) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide
PubChem CID177065400
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide
SMILESCCCC1CCC(n2cc3cc(C(=O)Nc4cccn(C5CC5)c4=O)c(OC4CC4)cc3n2)CC1
InChIInChI=1S/C28H34N4O3/c1-2-4-18-6-8-21(9-7-18)32-17-19-15-23(26(16-25(19)30-32)35-22-12-13-22)27(33)29-24-5-3-14-31(28(24)34)20-10-11-20/h3,5,14-18,20-22H,2,4,6-13H2,1H3,(H,29,33)
InChIKeyLOQAZYLEYWFTOZ-UHFFFAOYSA-N
XLogP5.86
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide (CID 177065400) is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide is CCCC1CCC(n2cc3cc(C(=O)Nc4cccn(C5CC5)c4=O)c(OC4CC4)cc3n2)CC1.
What is the InChIKey of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide?
The InChIKey is LOQAZYLEYWFTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-2-4-18-6-8-21(9-7-18)32-17-19-15-23(26(16-25(19)30-32)35-22-12-13-22)27(33)29-24-5-3-14-31(28(24)34)20-10-11-20/h3,5,14-18,20-22H,2,4,6-13H2,1H3,(H,29,33).
What are the key properties of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide?
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide is sourced from PubChem (CID 177065400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).