(2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide

C28H30N6O2 — CID 177212540

About (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide

(2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 177212540) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide
• PubChem CID: 177212540
• Molecular Formula: C28H30N6O2
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.24
• IUPAC Name: (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide
• SMILES: Cc1ncc(C#Cc2ccc(N3CCOCC3)cn2)c2cc(NC(=O)[C@@H]3C[C@@]34CCN(C)C4)ncc12
• InChI: InChI=1S/C28H30N6O2/c1-19-24-17-31-26(32-27(35)25-14-28(25)7-8-33(2)18-28)13-23(24)20(15-29-19)3-4-21-5-6-22(16-30-21)34-9-11-36-12-10-34/h5-6,13,15-17,25H,7-12,14,18H2,1-2H3,(H,31,32,35)/t25-,28+/m0/s1
• InChIKey: SQTMGIULQKZPQZ-LBNVMWSVSA-N
• XLogP: 2.85
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide?

The IUPAC name of (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide (CID 177212540) is (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide.

What is the SMILES notation for (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide?

The canonical SMILES for (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide is Cc1ncc(C#Cc2ccc(N3CCOCC3)cn2)c2cc(NC(=O)[C@@H]3C[C@@]34CCN(C)C4)ncc12.

What is the InChIKey of (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide?

The InChIKey is SQTMGIULQKZPQZ-LBNVMWSVSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-19-24-17-31-26(32-27(35)25-14-28(25)7-8-33(2)18-28)13-23(24)20(15-29-19)3-4-21-5-6-22(16-30-21)34-9-11-36-12-10-34/h5-6,13,15-17,25H,7-12,14,18H2,1-2H3,(H,31,32,35)/t25-,28+/m0/s1.

What are the key properties of (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide?

(2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-5-methyl-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 177212540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).