2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide

C26H32F3N5O4 — CID 154962799

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(O)(CO)C(F)(F)F)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C26H32F3N5O4/c1-17-15-34(13-14-38-17)21-4-2-3-20(31-21)32-23(36)18-5-6-19(25(37,16-35)26(27,28)29)30-22(18)33-11-9-24(7-8-24)10-12-33/h2-6,17,35,37H,7-16H2,1H3,(H,31,32,36)/t17-,25?/m1/s1
InChIKeyBERIQXZPICWUTQ-SMFUYQKNSA-N
MW535.57 g/mol
LogP3.08
Rot. Bonds6

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide (PubChem CID 154962799) has the molecular formula C26H32F3N5O4 and a molecular weight of 535.57 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
PubChem CID154962799
Molecular FormulaC26H32F3N5O4
Molecular Weight535.57 g/mol
Exact Mass535.24
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(O)(CO)C(F)(F)F)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C26H32F3N5O4/c1-17-15-34(13-14-38-17)21-4-2-3-20(31-21)32-23(36)18-5-6-19(25(37,16-35)26(27,28)29)30-22(18)33-11-9-24(7-8-24)10-12-33/h2-6,17,35,37H,7-16H2,1H3,(H,31,32,36)/t17-,25?/m1/s1
InChIKeyBERIQXZPICWUTQ-SMFUYQKNSA-N
XLogP3.08
TPSA111.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.57
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide (CID 154962799) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide is C[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(O)(CO)C(F)(F)F)nc3N3CCC4(CC3)CC4)n2)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
The InChIKey is BERIQXZPICWUTQ-SMFUYQKNSA-N. The full InChI is InChI=1S/C26H32F3N5O4/c1-17-15-34(13-14-38-17)21-4-2-3-20(31-21)32-23(36)18-5-6-19(25(37,16-35)26(27,28)29)30-22(18)33-11-9-24(7-8-24)10-12-33/h2-6,17,35,37H,7-16H2,1H3,(H,31,32,36)/t17-,25?/m1/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide has a molecular weight of 535.57 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 154962799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).