N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide

C32H33F3N4O4 — CID 121245283

IUPACN-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide
SMILESCOCCNC(=O)c1ccc2cn(CC3CCN(C(=O)c4ccc(Oc5cccc(C(F)(F)F)c5)cc4)CC3)nc2c1C
InChIInChI=1S/C32H33F3N4O4/c1-21-28(30(40)36-14-17-42-2)11-8-24-20-39(37-29(21)24)19-22-12-15-38(16-13-22)31(41)23-6-9-26(10-7-23)43-27-5-3-4-25(18-27)32(33,34)35/h3-11,18,20,22H,12-17,19H2,1-2H3,(H,36,40)
InChIKeySJKXREADQWPBBP-UHFFFAOYSA-N
MW594.63 g/mol
LogP6.08
Rot. Bonds9

About N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide

N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide (PubChem CID 121245283) has the molecular formula C32H33F3N4O4 and a molecular weight of 594.63 g/mol. Its IUPAC name is N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide
PubChem CID121245283
Molecular FormulaC32H33F3N4O4
Molecular Weight594.63 g/mol
Exact Mass594.25
IUPAC NameN-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide
SMILESCOCCNC(=O)c1ccc2cn(CC3CCN(C(=O)c4ccc(Oc5cccc(C(F)(F)F)c5)cc4)CC3)nc2c1C
InChIInChI=1S/C32H33F3N4O4/c1-21-28(30(40)36-14-17-42-2)11-8-24-20-39(37-29(21)24)19-22-12-15-38(16-13-22)31(41)23-6-9-26(10-7-23)43-27-5-3-4-25(18-27)32(33,34)35/h3-11,18,20,22H,12-17,19H2,1-2H3,(H,36,40)
InChIKeySJKXREADQWPBBP-UHFFFAOYSA-N
XLogP6.08
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.63
LogP ≤ 56.08
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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Related Compounds

2-[[1-[4-(4-tert-butylphenoxy)benzoyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
CID 71581596
4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
CID 150691537
2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide
CID 71581996
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
CID 71581997
4-methoxy-1-[4-methyl-2-[[(3S)-1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]pyrrolidin-3-yl]methyl]indazol-5-yl]butan-1-one
CID 159622719
4-methoxy-1-[6-methyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]azetidin-3-yl]methyl]indazol-5-yl]butan-1-one
CID 149222533
2-[[1-[4-(4-methoxy-2-methylphenyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
CID 71582541
2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide
CID 39511020
[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 119560951
2-[[1-(4-bromobenzoyl)piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
CID 71582539
1-[4-methyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazol-5-yl]-3-[(2R)-oxan-2-yl]propan-1-one
CID 160997713
1-[4-methyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazol-5-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 160997712

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide (CID 121245283) is N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide is COCCNC(=O)c1ccc2cn(CC3CCN(C(=O)c4ccc(Oc5cccc(C(F)(F)F)c5)cc4)CC3)nc2c1C.
What is the InChIKey of N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide?
The InChIKey is SJKXREADQWPBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N4O4/c1-21-28(30(40)36-14-17-42-2)11-8-24-20-39(37-29(21)24)19-22-12-15-38(16-13-22)31(41)23-6-9-26(10-7-23)43-27-5-3-4-25(18-27)32(33,34)35/h3-11,18,20,22H,12-17,19H2,1-2H3,(H,36,40).
What are the key properties of N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide?
N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide has a molecular weight of 594.63 g/mol, XLogP of 6.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-7-methyl-2-[[1-[4-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-6-carboxamide is sourced from PubChem (CID 121245283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).