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

C51H66F2N10O7 — CID 163601434

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(F)(CO)CO)nc3N3CCC4(CC3)CC4)n2)CCO1.C[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(F)CO)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C26H34FN5O4.C25H32FN5O3/c1-18-15-32(13-14-36-18)22-4-2-3-21(29-22)30-24(35)19-5-6-20(26(27,16-33)17-34)28-23(19)31-11-9-25(7-8-25)10-12-31;1-17-15-31(13-14-34-17)22-4-2-3-21(28-22)29-24(33)18-5-6-20(19(26)16-32)27-23(18)30-11-9-25(7-8-25)10-12-30/h2-6,18,33-34H,7-17H2,1H3,(H,29,30,35);2-6,17,19,32H,7-16H2,1H3,(H,28,29,33)/t18-;17-,19?/m11/s1
InChIKeyGXZPSCKKISWQOW-ORQQMKOXSA-N
MW969.15 g/mol
LogP5.82
Rot. Bonds13

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

2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 163601434) has the molecular formula C51H66F2N10O7 and a molecular weight of 969.15 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID163601434
Molecular FormulaC51H66F2N10O7
Molecular Weight969.15 g/mol
Exact Mass968.51
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(F)(CO)CO)nc3N3CCC4(CC3)CC4)n2)CCO1.C[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(F)CO)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C26H34FN5O4.C25H32FN5O3/c1-18-15-32(13-14-36-18)22-4-2-3-21(29-22)30-24(35)19-5-6-20(26(27,16-33)17-34)28-23(19)31-11-9-25(7-8-25)10-12-31;1-17-15-31(13-14-34-17)22-4-2-3-21(28-22)29-24(33)18-5-6-20(19(26)16-32)27-23(18)30-11-9-25(7-8-25)10-12-30/h2-6,18,33-34H,7-17H2,1H3,(H,29,30,35);2-6,17,19,32H,7-16H2,1H3,(H,28,29,33)/t18-;17-,19?/m11/s1
InChIKeyGXZPSCKKISWQOW-ORQQMKOXSA-N
XLogP5.82
TPSA201.87 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.15
LogP ≤ 55.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]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)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 163601434) is 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is C[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(F)(CO)CO)nc3N3CCC4(CC3)CC4)n2)CCO1.C[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(F)CO)nc3N3CCC4(CC3)CC4)n2)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is GXZPSCKKISWQOW-ORQQMKOXSA-N. The full InChI is InChI=1S/C26H34FN5O4.C25H32FN5O3/c1-18-15-32(13-14-36-18)22-4-2-3-21(29-22)30-24(35)19-5-6-20(26(27,16-33)17-34)28-23(19)31-11-9-25(7-8-25)10-12-31;1-17-15-31(13-14-34-17)22-4-2-3-21(28-22)29-24(33)18-5-6-20(19(26)16-32)27-23(18)30-11-9-25(7-8-25)10-12-30/h2-6,18,33-34H,7-17H2,1H3,(H,29,30,35);2-6,17,19,32H,7-16H2,1H3,(H,28,29,33)/t18-;17-,19?/m11/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 969.15 g/mol, XLogP of 5.82, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 163601434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).