N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide

C25H28F2N4O2 — CID 155448821

IUPACN-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
SMILESCC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(F)F)n4)c(OC4CC4)cc3n2)CC1
InChIInChI=1S/C25H28F2N4O2/c1-15-6-8-17(9-7-15)31-14-16-12-21(22(13-20(16)30-31)33-18-10-11-18)29-24(32)19-4-3-5-23(28-19)25(2,26)27/h3-5,12-15,17-18H,6-11H2,1-2H3,(H,29,32)
InChIKeyLBNYHOZWLXHGHE-UHFFFAOYSA-N
MW454.52 g/mol
LogP6.09
Rot. Bonds6

About N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide

N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide (PubChem CID 155448821) has the molecular formula C25H28F2N4O2 and a molecular weight of 454.52 g/mol. Its IUPAC name is N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
PubChem CID155448821
Molecular FormulaC25H28F2N4O2
Molecular Weight454.52 g/mol
Exact Mass454.22
IUPAC NameN-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
SMILESCC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(F)F)n4)c(OC4CC4)cc3n2)CC1
InChIInChI=1S/C25H28F2N4O2/c1-15-6-8-17(9-7-15)31-14-16-12-21(22(13-20(16)30-31)33-18-10-11-18)29-24(32)19-4-3-5-23(28-19)25(2,26)27/h3-5,12-15,17-18H,6-11H2,1-2H3,(H,29,32)
InChIKeyLBNYHOZWLXHGHE-UHFFFAOYSA-N
XLogP6.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 155751757
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448588
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 170240012
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
CID 137377513
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
N-[6-(2-methoxyethoxy)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163769872
CID 175632841
CID 175632841

Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide (CID 155448821) is N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide is CC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(F)F)n4)c(OC4CC4)cc3n2)CC1.
What is the InChIKey of N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide?
The InChIKey is LBNYHOZWLXHGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O2/c1-15-6-8-17(9-7-15)31-14-16-12-21(22(13-20(16)30-31)33-18-10-11-18)29-24(32)19-4-3-5-23(28-19)25(2,26)27/h3-5,12-15,17-18H,6-11H2,1-2H3,(H,29,32).
What are the key properties of N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide?
N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155448821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).