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

C25H32FN5O3 — CID 151244088

About 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-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 151244088) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is 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 Name: 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: 151244088
• Molecular Formula: C25H32FN5O3
• Molecular Weight: 469.56 g/mol
• Exact Mass: 469.25
• IUPAC Name: 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
• SMILES: C[C@@H]1CN(c2cccc(NC(=O)c3ccc(C(F)CO)nc3N3CCC4(CC3)CC4)n2)CCO1
• InChI: InChI=1S/C25H32FN5O3/c1-17-15-31(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/h2-6,17,19,32H,7-16H2,1H3,(H,28,29,33)/t17-,19?/m1/s1
• InChIKey: NQXVMCRZZRTQJS-DUSLRRAJSA-N
• XLogP: 3.34
• TPSA: 90.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.56
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 151244088) is 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-(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-(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)nc3N3CCC4(CC3)CC4)n2)CCO1.

What is the InChIKey of 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 NQXVMCRZZRTQJS-DUSLRRAJSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-17-15-31(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/h2-6,17,19,32H,7-16H2,1H3,(H,28,29,33)/t17-,19?/m1/s1.

What are the key properties of 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-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 151244088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).