N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide

C24H30N4O2 — CID 155448898

IUPACN-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
SMILESCCC1CCC(n2cc3cc(NC(=O)c4ccccn4)c(C(C)(C)O)cc3n2)CC1
InChIInChI=1S/C24H30N4O2/c1-4-16-8-10-18(11-9-16)28-15-17-13-22(19(24(2,3)30)14-21(17)27-28)26-23(29)20-7-5-6-12-25-20/h5-7,12-16,18,30H,4,8-11H2,1-3H3,(H,26,29)
InChIKeyQRDUGLAFTOCHBF-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.05
Rot. Bonds5

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

N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 155448898) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID155448898
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
SMILESCCC1CCC(n2cc3cc(NC(=O)c4ccccn4)c(C(C)(C)O)cc3n2)CC1
InChIInChI=1S/C24H30N4O2/c1-4-16-8-10-18(11-9-16)28-15-17-13-22(19(24(2,3)30)14-21(17)27-28)26-23(29)20-7-5-6-12-25-20/h5-7,12-16,18,30H,4,8-11H2,1-3H3,(H,26,29)
InChIKeyQRDUGLAFTOCHBF-UHFFFAOYSA-N
XLogP5.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167156198
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 155449451
N-[2-[4-(2-hydroxyethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170238796
6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 170240012
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155437780
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 155437486
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide
CID 155437843
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 168854236
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 167375591
N-[6-(2-hydroxypropan-2-yl)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137377537

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide (CID 155448898) is N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide is CCC1CCC(n2cc3cc(NC(=O)c4ccccn4)c(C(C)(C)O)cc3n2)CC1.
What is the InChIKey of N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is QRDUGLAFTOCHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-16-8-10-18(11-9-16)28-15-17-13-22(19(24(2,3)30)14-21(17)27-28)26-23(29)20-7-5-6-12-25-20/h5-7,12-16,18,30H,4,8-11H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?
N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155448898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).