6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide

C27H36N4O2 — CID 170240012

IUPAC6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(C)C)n4)c(C(C)(C)O)cc3n2)CC1
InChIInChI=1S/C27H36N4O2/c1-17-10-12-19(13-11-17)31-16-18-14-23(20(27(5,6)33)15-22(18)30-31)29-25(32)21-8-7-9-24(28-21)26(2,3)4/h7-9,14-17,19,33H,10-13H2,1-6H3,(H,29,32)
InChIKeyJQIAARIGYMAJNI-UHFFFAOYSA-N
MW448.61 g/mol
LogP5.96
Rot. Bonds4

About 6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide

6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 170240012) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID170240012
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(C)C)n4)c(C(C)(C)O)cc3n2)CC1
InChIInChI=1S/C27H36N4O2/c1-17-10-12-19(13-11-17)31-16-18-14-23(20(27(5,6)33)15-22(18)30-31)29-25(32)21-8-7-9-24(28-21)26(2,3)4/h7-9,14-17,19,33H,10-13H2,1-6H3,(H,29,32)
InChIKeyJQIAARIGYMAJNI-UHFFFAOYSA-N
XLogP5.96
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide (CID 170240012) is 6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide is CC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(C)C)n4)c(C(C)(C)O)cc3n2)CC1.
What is the InChIKey of 6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is JQIAARIGYMAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-17-10-12-19(13-11-17)31-16-18-14-23(20(27(5,6)33)15-22(18)30-31)29-25(32)21-8-7-9-24(28-21)26(2,3)4/h7-9,14-17,19,33H,10-13H2,1-6H3,(H,29,32).
What are the key properties of 6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 5.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170240012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).