N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C27H25N5O4 — CID 177212732

About N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177212732) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 177212732
• Molecular Formula: C27H25N5O4
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.19
• IUPAC Name: N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: Cc1ncc(C#Cc2ccc(N3C[C@@]4(CCOC4)OCC3=O)cn2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C27H25N5O4/c1-17-23-13-30-24(31-26(34)18-2-3-18)10-22(23)19(11-28-17)4-5-20-6-7-21(12-29-20)32-15-27(8-9-35-16-27)36-14-25(32)33/h6-7,10-13,18H,2-3,8-9,14-16H2,1H3,(H,30,31,34)/t27-/m1/s1
• InChIKey: CPQJMIZJCAWMOY-HHHXNRCGSA-N
• XLogP: 2.60
• TPSA: 106.54 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	483.53
LogP ≤ 5	2.60
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 N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177212732) is N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ncc(C#Cc2ccc(N3C[C@@]4(CCOC4)OCC3=O)cn2)c2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is CPQJMIZJCAWMOY-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-17-23-13-30-24(31-26(34)18-2-3-18)10-22(23)19(11-28-17)4-5-20-6-7-21(12-29-20)32-15-27(8-9-35-16-27)36-14-25(32)33/h6-7,10-13,18H,2-3,8-9,14-16H2,1H3,(H,30,31,34)/t27-/m1/s1.

What are the key properties of N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177212732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).