N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C20H18F2N6O — CID 170677987

About N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170677987) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 170677987
• Molecular Formula: C20H18F2N6O
• Molecular Weight: 396.40 g/mol
• Exact Mass: 396.15
• IUPAC Name: N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: CNc1ncc(C#Cc2cn(C(F)F)c(C)n2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C20H18F2N6O/c1-11-26-14(10-28(11)20(21)22)6-5-13-8-25-18(23-2)16-9-24-17(7-15(13)16)27-19(29)12-3-4-12/h7-10,12,20H,3-4H2,1-2H3,(H,23,25)(H,24,27,29)
• InChIKey: QYXBPPLMEGYRSW-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.40
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677987) is N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(C#Cc2cn(C(F)F)c(C)n2)c2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is QYXBPPLMEGYRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-11-26-14(10-28(11)20(21)22)6-5-13-8-25-18(23-2)16-9-24-17(7-15(13)16)27-19(29)12-3-4-12/h7-10,12,20H,3-4H2,1-2H3,(H,23,25)(H,24,27,29).

What are the key properties of N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170677987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).