6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide

C26H24F3N5O4 — CID 166041301

IUPAC6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide
SMILESCCCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NCc4ccccc4OC(F)(F)F)c3)ccc12
InChIInChI=1S/C26H24F3N5O4/c1-3-10-30-24(36)22-18-9-8-15(12-20(18)33-34-22)17-11-19(25(37-2)32-14-17)23(35)31-13-16-6-4-5-7-21(16)38-26(27,28)29/h4-9,11-12,14H,3,10,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,34)
InChIKeyHSODLINPIWMFPH-UHFFFAOYSA-N
MW527.50 g/mol
LogP4.60
Rot. Bonds9

About 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide

6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide (PubChem CID 166041301) has the molecular formula C26H24F3N5O4 and a molecular weight of 527.50 g/mol. Its IUPAC name is 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide
PubChem CID166041301
Molecular FormulaC26H24F3N5O4
Molecular Weight527.50 g/mol
Exact Mass527.18
IUPAC Name6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide
SMILESCCCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NCc4ccccc4OC(F)(F)F)c3)ccc12
InChIInChI=1S/C26H24F3N5O4/c1-3-10-30-24(36)22-18-9-8-15(12-20(18)33-34-22)17-11-19(25(37-2)32-14-17)23(35)31-13-16-6-4-5-7-21(16)38-26(27,28)29/h4-9,11-12,14H,3,10,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,34)
InChIKeyHSODLINPIWMFPH-UHFFFAOYSA-N
XLogP4.60
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.50
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide (CID 166041301) is 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide is CCCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NCc4ccccc4OC(F)(F)F)c3)ccc12.
What is the InChIKey of 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide?
The InChIKey is HSODLINPIWMFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O4/c1-3-10-30-24(36)22-18-9-8-15(12-20(18)33-34-22)17-11-19(25(37-2)32-14-17)23(35)31-13-16-6-4-5-7-21(16)38-26(27,28)29/h4-9,11-12,14H,3,10,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,34).
What are the key properties of 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide?
6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide has a molecular weight of 527.50 g/mol, XLogP of 4.60, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-propyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 166041301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).