6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide

C26H34N4O2 — CID 170238029

IUPAC6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cn(C4CCC(C(C)C)CC4)nc3cc2C(C)(C)O)n1
InChIInChI=1S/C26H34N4O2/c1-16(2)18-9-11-20(12-10-18)30-15-19-13-21(22(26(4,5)32)14-23(19)29-30)25(31)28-24-8-6-7-17(3)27-24/h6-8,13-16,18,20,32H,9-12H2,1-5H3,(H,27,28,31)
InChIKeyWYWMCRHUFMRQFN-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.61
Rot. Bonds5

About 6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide

6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide (PubChem CID 170238029) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide
PubChem CID170238029
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cn(C4CCC(C(C)C)CC4)nc3cc2C(C)(C)O)n1
InChIInChI=1S/C26H34N4O2/c1-16(2)18-9-11-20(12-10-18)30-15-19-13-21(22(26(4,5)32)14-23(19)29-30)25(31)28-24-8-6-7-17(3)27-24/h6-8,13-16,18,20,32H,9-12H2,1-5H3,(H,27,28,31)
InChIKeyWYWMCRHUFMRQFN-UHFFFAOYSA-N
XLogP5.61
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide (CID 170238029) is 6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide is Cc1cccc(NC(=O)c2cc3cn(C4CCC(C(C)C)CC4)nc3cc2C(C)(C)O)n1.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide?
The InChIKey is WYWMCRHUFMRQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-16(2)18-9-11-20(12-10-18)30-15-19-13-21(22(26(4,5)32)14-23(19)29-30)25(31)28-24-8-6-7-17(3)27-24/h6-8,13-16,18,20,32H,9-12H2,1-5H3,(H,27,28,31).
What are the key properties of 6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide?
6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide is sourced from PubChem (CID 170238029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).