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

C26H29F3N4O3 — CID 71581660

IUPACN-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2c1C
InChIInChI=1S/C26H29F3N4O3/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)26(27,28)29/h3-8,16,18H,9-15H2,1-2H3,(H,30,34)
InChIKeyWMWQHQAGJYHQMZ-UHFFFAOYSA-N
MW502.54 g/mol
LogP4.29
Rot. Bonds7

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

N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide (PubChem CID 71581660) has the molecular formula C26H29F3N4O3 and a molecular weight of 502.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
PubChem CID71581660
Molecular FormulaC26H29F3N4O3
Molecular Weight502.54 g/mol
Exact Mass502.22
IUPAC NameN-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2c1C
InChIInChI=1S/C26H29F3N4O3/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)26(27,28)29/h3-8,16,18H,9-15H2,1-2H3,(H,30,34)
InChIKeyWMWQHQAGJYHQMZ-UHFFFAOYSA-N
XLogP4.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide with MolForge

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
c-Met Inhibitor D6808
CID 165437862
Epz005687
CID 60160561
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
CID 130301863
5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide
CID 132169624
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
N-Ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(6-methyl-1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide
CID 45268485
N-Ethyl-2,6-dimethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45271025
Benzazepinelidene acetamide derivative, 1c
CID 44520848
c-Niraparib
CID 124081212

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide (CID 71581660) is N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide is COCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2c1C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?
The InChIKey is WMWQHQAGJYHQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O3/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)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-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?
N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide has a molecular weight of 502.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide is sourced from PubChem (CID 71581660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).