2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane

C56H53F4N7O3 — CID 142225527

About 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane

2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane (PubChem CID 142225527) has the molecular formula C56H53F4N7O3 and a molecular weight of 948.08 g/mol. Its IUPAC name is 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane.

Molecular Properties

• Compound Name: 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane
• PubChem CID: 142225527
• Molecular Formula: C56H53F4N7O3
• Molecular Weight: 948.08 g/mol
• Exact Mass: 947.41
• IUPAC Name: 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane
• SMILES: CC.CN(c1ccccc1)c1nc(NCc2ccc(F)cc2)cc(C(F)(F)F)c1C(=O)/C=C/Nc1ccccc1.Cc1cc(OCC2CC2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
• InChI: InChI=1S/C29H24F4N4O.C25H23N3O2.C2H6/c1-37(23-10-6-3-7-11-23)28-27(25(38)16-17-34-22-8-4-2-5-9-22)24(29(31,32)33)18-26(36-28)35-19-20-12-14-21(30)15-13-20;1-17-14-22(30-16-18-12-13-18)24-21(29)15-23(27-19-8-4-2-5-9-19)28(25(24)26-17)20-10-6-3-7-11-20;1-2/h2-18,34H,19H2,1H3,(H,35,36);2-11,14-15,18,27H,12-13,16H2,1H3;1-2H3/b17-16+
• InChIKey: VNDBWYVPLWTRRB-WXIBIURSSA-N
• XLogP: 13.68
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.08
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane?

The IUPAC name of 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane (CID 142225527) is 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane.

What is the SMILES notation for 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane?

The canonical SMILES for 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane is CC.CN(c1ccccc1)c1nc(NCc2ccc(F)cc2)cc(C(F)(F)F)c1C(=O)/C=C/Nc1ccccc1.Cc1cc(OCC2CC2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.

What is the InChIKey of 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane?

The InChIKey is VNDBWYVPLWTRRB-WXIBIURSSA-N. The full InChI is InChI=1S/C29H24F4N4O.C25H23N3O2.C2H6/c1-37(23-10-6-3-7-11-23)28-27(25(38)16-17-34-22-8-4-2-5-9-22)24(29(31,32)33)18-26(36-28)35-19-20-12-14-21(30)15-13-20;1-17-14-22(30-16-18-12-13-18)24-21(29)15-23(27-19-8-4-2-5-9-19)28(25(24)26-17)20-10-6-3-7-11-20;1-2/h2-18,34H,19H2,1H3,(H,35,36);2-11,14-15,18,27H,12-13,16H2,1H3;1-2H3/b17-16+;;.

What are the key properties of 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane?

2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane has a molecular weight of 948.08 g/mol, XLogP of 13.68, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;(E)-3-anilino-1-[6-[(4-fluorophenyl)methylamino]-2-(N-methylanilino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one;ethane is sourced from PubChem (CID 142225527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).