6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide

C24H26F3N5O4 — CID 166041305

IUPAC6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NC4CCCC(OCC(F)(F)F)C4)c3)ccc12
InChIInChI=1S/C24H26F3N5O4/c1-28-22(34)20-17-7-6-13(9-19(17)31-32-20)14-8-18(23(35-2)29-11-14)21(33)30-15-4-3-5-16(10-15)36-12-24(25,26)27/h6-9,11,15-16H,3-5,10,12H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)
InChIKeyWORUNHUEXCNXBU-UHFFFAOYSA-N
MW505.50 g/mol
LogP3.61
Rot. Bonds7

About 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide

6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 166041305) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID166041305
Molecular FormulaC24H26F3N5O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC Name6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NC4CCCC(OCC(F)(F)F)C4)c3)ccc12
InChIInChI=1S/C24H26F3N5O4/c1-28-22(34)20-17-7-6-13(9-19(17)31-32-20)14-8-18(23(35-2)29-11-14)21(33)30-15-4-3-5-16(10-15)36-12-24(25,26)27/h6-9,11,15-16H,3-5,10,12H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)
InChIKeyWORUNHUEXCNXBU-UHFFFAOYSA-N
XLogP3.61
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide (CID 166041305) is 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NC4CCCC(OCC(F)(F)F)C4)c3)ccc12.
What is the InChIKey of 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is WORUNHUEXCNXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4/c1-28-22(34)20-17-7-6-13(9-19(17)31-32-20)14-8-18(23(35-2)29-11-14)21(33)30-15-4-3-5-16(10-15)36-12-24(25,26)27/h6-9,11,15-16H,3-5,10,12H2,1-2H3,(H,28,34)(H,30,33)(H,31,32).
What are the key properties of 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-5-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 166041305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).