N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H26F3N5O4 — CID 118172909

IUPACN-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H26F3N5O4/c26-25(27,28)22-6-2-5-18(29-22)24(35)30-20-11-17-13-33(14-23(34)32-7-9-36-10-8-32)31-19(17)12-21(20)37-15-16-3-1-4-16/h2,5-6,11-13,16H,1,3-4,7-10,14-15H2,(H,30,35)
InChIKeyKMJNYPRVEJJAKG-UHFFFAOYSA-N
MW517.51 g/mol
LogP3.74
Rot. Bonds7

About N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172909) has the molecular formula C25H26F3N5O4 and a molecular weight of 517.51 g/mol. Its IUPAC name is N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172909
Molecular FormulaC25H26F3N5O4
Molecular Weight517.51 g/mol
Exact Mass517.19
IUPAC NameN-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H26F3N5O4/c26-25(27,28)22-6-2-5-18(29-22)24(35)30-20-11-17-13-33(14-23(34)32-7-9-36-10-8-32)31-19(17)12-21(20)37-15-16-3-1-4-16/h2,5-6,11-13,16H,1,3-4,7-10,14-15H2,(H,30,35)
InChIKeyKMJNYPRVEJJAKG-UHFFFAOYSA-N
XLogP3.74
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172909) is N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCC1CCC1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KMJNYPRVEJJAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O4/c26-25(27,28)22-6-2-5-18(29-22)24(35)30-20-11-17-13-33(14-23(34)32-7-9-36-10-8-32)31-19(17)12-21(20)37-15-16-3-1-4-16/h2,5-6,11-13,16H,1,3-4,7-10,14-15H2,(H,30,35).
What are the key properties of N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 517.51 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclobutylmethoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).