7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane

C₄₇H₄₈F₇N₁₀O₂P — CID 145025461

About 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane

7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane (PubChem CID 145025461) has the molecular formula C₄₇H₄₈F₇N₁₀O₂P and a molecular weight of 948.93 g/mol. Its IUPAC name is 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane
• PubChem CID: 145025461
• Molecular Formula: C₄₇H₄₈F₇N₁₀O₂P
• Molecular Weight: 948.93 g/mol
• Exact Mass: 948.36
• IUPAC Name: 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane
• SMILES: CC.NC(=O)c1cc(-c2cccc(C(F)(F)P)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2.NC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)CN(Cc1ccnc(C3CC3)c1)CC2
• InChI: InChI=1S/C23H20F5N4OP.C22H22F2N6O.C2H6/c24-22(25,26)20-8-13(4-6-30-20)11-32-7-5-16-17(10-18(21(29)33)31-19(16)12-32)14-2-1-3-15(9-14)23(27,28)34;23-22(24)30-11-15(9-27-30)17-8-19(21(25)31)28-20-12-29(6-4-16(17)20)10-13-3-5-26-18(7-13)14-1-2-14;1-2/h1-4,6,8-10H,5,7,11-12,34H2,(H2,29,33);3,5,7-9,11,14,22H,1-2,4,6,10,12H2,(H2,25,31);1-2H3
• InChIKey: SXZYBFBHAOONSL-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 162.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.93
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane?

The IUPAC name of 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane (CID 145025461) is 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane.

What is the SMILES notation for 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane?

The canonical SMILES for 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane is CC.NC(=O)c1cc(-c2cccc(C(F)(F)P)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2.NC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)CN(Cc1ccnc(C3CC3)c1)CC2.

What is the InChIKey of 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane?

The InChIKey is SXZYBFBHAOONSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F5N4OP.C22H22F2N6O.C2H6/c24-22(25,26)20-8-13(4-6-30-20)11-32-7-5-16-17(10-18(21(29)33)31-19(16)12-32)14-2-1-3-15(9-14)23(27,28)34;23-22(24)30-11-15(9-27-30)17-8-19(21(25)31)28-20-12-29(6-4-16(17)20)10-13-3-5-26-18(7-13)14-1-2-14;1-2/h1-4,6,8-10H,5,7,11-12,34H2,(H2,29,33);3,5,7-9,11,14,22H,1-2,4,6,10,12H2,(H2,25,31);1-2H3.

What are the key properties of 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane?

7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane has a molecular weight of 948.93 g/mol, XLogP of 9.04, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane is sourced from PubChem (CID 145025461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145025461 — identifiers, structure, computed properties (public domain)

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