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

C26H23F3N6O4 — CID 118182536

IUPACN-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCc1ccccn1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H23F3N6O4/c27-26(28,29)23-6-3-5-19(31-23)25(37)32-21-12-17-14-35(15-24(36)34-8-10-38-11-9-34)33-20(17)13-22(21)39-16-18-4-1-2-7-30-18/h1-7,12-14H,8-11,15-16H2,(H,32,37)
InChIKeyNBWCUFUREQUGGU-UHFFFAOYSA-N
MW540.50 g/mol
LogP3.54
Rot. Bonds7

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

N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118182536) has the molecular formula C26H23F3N6O4 and a molecular weight of 540.50 g/mol. Its IUPAC name is N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118182536
Molecular FormulaC26H23F3N6O4
Molecular Weight540.50 g/mol
Exact Mass540.17
IUPAC NameN-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCc1ccccn1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H23F3N6O4/c27-26(28,29)23-6-3-5-19(31-23)25(37)32-21-12-17-14-35(15-24(36)34-8-10-38-11-9-34)33-20(17)13-22(21)39-16-18-4-1-2-7-30-18/h1-7,12-14H,8-11,15-16H2,(H,32,37)
InChIKeyNBWCUFUREQUGGU-UHFFFAOYSA-N
XLogP3.54
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118182536) is N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCc1ccccn1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NBWCUFUREQUGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O4/c27-26(28,29)23-6-3-5-19(31-23)25(37)32-21-12-17-14-35(15-24(36)34-8-10-38-11-9-34)33-20(17)13-22(21)39-16-18-4-1-2-7-30-18/h1-7,12-14H,8-11,15-16H2,(H,32,37).
What are the key properties of N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 540.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118182536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).