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

C31H32F3N5O4 — CID 151541126

IUPACN-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2nn(CC3CCCCN3C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)cc2c1C
InChIInChI=1S/C31H32F3N5O4/c1-20-25(29(40)35-14-16-42-2)11-12-27-26(20)19-38(37-27)18-23-5-3-4-15-39(23)30(41)21-6-9-24(10-7-21)43-28-13-8-22(17-36-28)31(32,33)34/h6-13,17,19,23H,3-5,14-16,18H2,1-2H3,(H,35,40)
InChIKeyPYMOJVAZUJBOQA-UHFFFAOYSA-N
MW595.62 g/mol
LogP5.62
Rot. Bonds9

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

N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide (PubChem CID 151541126) has the molecular formula C31H32F3N5O4 and a molecular weight of 595.62 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide
PubChem CID151541126
Molecular FormulaC31H32F3N5O4
Molecular Weight595.62 g/mol
Exact Mass595.24
IUPAC NameN-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2nn(CC3CCCCN3C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)cc2c1C
InChIInChI=1S/C31H32F3N5O4/c1-20-25(29(40)35-14-16-42-2)11-12-27-26(20)19-38(37-27)18-23-5-3-4-15-39(23)30(41)21-6-9-24(10-7-21)43-28-13-8-22(17-36-28)31(32,33)34/h6-13,17,19,23H,3-5,14-16,18H2,1-2H3,(H,35,40)
InChIKeyPYMOJVAZUJBOQA-UHFFFAOYSA-N
XLogP5.62
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.62
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

US9951086, Example 68
CID 118173098
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 25242540
N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70692760
N-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70696850
N-(cyclopropyl(pyridin-2-yl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711045
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 90298326
US9951086, Example 220
CID 118172527
US9951086, Example 46
CID 118172648
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide (CID 151541126) is N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide is COCCNC(=O)c1ccc2nn(CC3CCCCN3C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)cc2c1C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide?
The InChIKey is PYMOJVAZUJBOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N5O4/c1-20-25(29(40)35-14-16-42-2)11-12-27-26(20)19-38(37-27)18-23-5-3-4-15-39(23)30(41)21-6-9-24(10-7-21)43-28-13-8-22(17-36-28)31(32,33)34/h6-13,17,19,23H,3-5,14-16,18H2,1-2H3,(H,35,40).
What are the key properties of N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide?
N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide has a molecular weight of 595.62 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]piperidin-2-yl]methyl]indazole-5-carboxamide is sourced from PubChem (CID 151541126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).