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

C29H34N6O2 — CID 177212717

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

8-methyl-N-[[(3R)-5-methyl-5-azaspiro[2.4]heptan-2-yl]methoxymethyl]-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-amine (PubChem CID 177212717) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 8-methyl-N-[[(3R)-5-methyl-5-azaspiro[2.4]heptan-2-yl]methoxymethyl]-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-amine.

Molecular Properties

• Compound Name: 8-methyl-N-[[(3R)-5-methyl-5-azaspiro[2.4]heptan-2-yl]methoxymethyl]-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-amine
• PubChem CID: 177212717
• Molecular Formula: C29H34N6O2
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.27
• IUPAC Name: 8-methyl-N-[[(3R)-5-methyl-5-azaspiro[2.4]heptan-2-yl]methoxymethyl]-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-amine
• SMILES: Cc1ncc(C#Cc2ccc(N3CCOCC3)cn2)c2cc(NCOCC3C[C@@]34CCN(C)C4)ncc12
• InChI: InChI=1S/C29H34N6O2/c1-21-27-17-32-28(33-20-37-18-23-14-29(23)7-8-34(2)19-29)13-26(27)22(15-30-21)3-4-24-5-6-25(16-31-24)35-9-11-36-12-10-35/h5-6,13,15-17,23H,7-12,14,18-20H2,1-2H3,(H,32,33)/t23?,29-/m1/s1
• InChIKey: UXRWYIDOOWMRIV-GJQLDDCUSA-N
• XLogP: 3.30
• TPSA: 75.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 8-methyl-N-[[(3R)-5-methyl-5-azaspiro[2.4]heptan-2-yl]methoxymethyl]-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-amine (CID 177212717) is 8-methyl-N-[[(3R)-5-methyl-5-azaspiro[2.4]heptan-2-yl]methoxymethyl]-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-amine.

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

The canonical SMILES for 8-methyl-N-[[(3R)-5-methyl-5-azaspiro[2.4]heptan-2-yl]methoxymethyl]-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-amine is Cc1ncc(C#Cc2ccc(N3CCOCC3)cn2)c2cc(NCOCC3C[C@@]34CCN(C)C4)ncc12.

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

The InChIKey is UXRWYIDOOWMRIV-GJQLDDCUSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-21-27-17-32-28(33-20-37-18-23-14-29(23)7-8-34(2)19-29)13-26(27)22(15-30-21)3-4-24-5-6-25(16-31-24)35-9-11-36-12-10-35/h5-6,13,15-17,23H,7-12,14,18-20H2,1-2H3,(H,32,33)/t23?,29-/m1/s1.

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

8-methyl-N-[[(3R)-5-methyl-5-azaspiro[2.4]heptan-2-yl]methoxymethyl]-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-amine has a molecular weight of 498.63 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-N-[[(3R)-5-methyl-5-azaspiro[2.4]heptan-2-yl]methoxymethyl]-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-amine is sourced from PubChem (CID 177212717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).