N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide

C26H29F3N4O4 — CID 71581864

IUPACN-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc2c1C
InChIInChI=1S/C26H29F3N4O4/c1-17-21(24(34)30-11-14-36-2)7-8-23-22(17)16-33(31-23)15-18-9-12-32(13-10-18)25(35)19-3-5-20(6-4-19)37-26(27,28)29/h3-8,16,18H,9-15H2,1-2H3,(H,30,34)
InChIKeySCBNWEUWIVBOMW-UHFFFAOYSA-N
MW518.54 g/mol
LogP4.17
Rot. Bonds8

About N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide

N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide (PubChem CID 71581864) has the molecular formula C26H29F3N4O4 and a molecular weight of 518.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
PubChem CID71581864
Molecular FormulaC26H29F3N4O4
Molecular Weight518.54 g/mol
Exact Mass518.21
IUPAC NameN-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc2c1C
InChIInChI=1S/C26H29F3N4O4/c1-17-21(24(34)30-11-14-36-2)7-8-23-22(17)16-33(31-23)15-18-9-12-32(13-10-18)25(35)19-3-5-20(6-4-19)37-26(27,28)29/h3-8,16,18H,9-15H2,1-2H3,(H,30,34)
InChIKeySCBNWEUWIVBOMW-UHFFFAOYSA-N
XLogP4.17
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide (CID 71581864) is N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide is COCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc2c1C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?
The InChIKey is SCBNWEUWIVBOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O4/c1-17-21(24(34)30-11-14-36-2)7-8-23-22(17)16-33(31-23)15-18-9-12-32(13-10-18)25(35)19-3-5-20(6-4-19)37-26(27,28)29/h3-8,16,18H,9-15H2,1-2H3,(H,30,34).
What are the key properties of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?
N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide has a molecular weight of 518.54 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide is sourced from PubChem (CID 71581864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).