4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine

C87H83Cl5F8N12O15 — CID 158058551

About 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine

4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine (PubChem CID 158058551) has the molecular formula C87H83Cl5F8N12O15 and a molecular weight of 1865.94 g/mol. Its IUPAC name is 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine.

Molecular Properties

• Compound Name: 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine
• PubChem CID: 158058551
• Molecular Formula: C87H83Cl5F8N12O15
• Molecular Weight: 1865.94 g/mol
• Exact Mass: 1862.44
• IUPAC Name: 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine
• SMILES: COc1cc(C(=O)CCC(C)(N)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OC1CC1.COc1ccc(/C(=C/[N+](=O)[O-])C(F)(F)F)nc1-c1ccc(F)c(Cl)c1.COc1ccc(C(C)(N)CN)nc1-c1ccc(F)c(Cl)c1.COc1ccc(C(C)(N)C[N+](=O)[O-])nc1-c1ccc(F)c(Cl)c1.COc1ccc(C(C)(O)C[N+](=O)[O-])nc1-c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C27H28ClFN2O4.C15H9ClF4N2O3.C15H15ClFN3O3.C15H17ClFN3O.C15H14ClFN2O4/c1-27(30,13-12-21(32)16-5-9-22(24(15-16)34-3)35-18-6-7-18)25-11-10-23(33-2)26(31-25)17-4-8-20(29)19(28)14-17;1-25-13-5-4-12(9(7-22(23)24)15(18,19)20)21-14(13)8-2-3-11(17)10(16)6-8;1-15(18,8-20(21)22)13-6-5-12(23-2)14(19-13)9-3-4-11(17)10(16)7-9;1-15(19,8-18)13-6-5-12(21-2)14(20-13)9-3-4-11(17)10(16)7-9;1-15(20,8-19(21)22)13-6-5-12(23-2)14(18-13)9-3-4-11(17)10(16)7-9/h4-5,8-11,14-15,18H,6-7,12-13,30H2,1-3H3;2-7H,1H3;3-7H,8,18H2,1-2H3;3-7H,8,18-19H2,1-2H3;3-7,20H,8H2,1-2H3/b;9-7-
• InChIKey: FKJDDPXYUWQPSV-VPACTKIZSA-N
• XLogP: 19.38
• TPSA: 399.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1865.94
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine?

The IUPAC name of 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine (CID 158058551) is 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine.

What is the SMILES notation for 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine?

The canonical SMILES for 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine is COc1cc(C(=O)CCC(C)(N)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OC1CC1.COc1ccc(/C(=C/[N+](=O)[O-])C(F)(F)F)nc1-c1ccc(F)c(Cl)c1.COc1ccc(C(C)(N)CN)nc1-c1ccc(F)c(Cl)c1.COc1ccc(C(C)(N)C[N+](=O)[O-])nc1-c1ccc(F)c(Cl)c1.COc1ccc(C(C)(O)C[N+](=O)[O-])nc1-c1ccc(F)c(Cl)c1.

What is the InChIKey of 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine?

The InChIKey is FKJDDPXYUWQPSV-VPACTKIZSA-N. The full InChI is InChI=1S/C27H28ClFN2O4.C15H9ClF4N2O3.C15H15ClFN3O3.C15H17ClFN3O.C15H14ClFN2O4/c1-27(30,13-12-21(32)16-5-9-22(24(15-16)34-3)35-18-6-7-18)25-11-10-23(33-2)26(31-25)17-4-8-20(29)19(28)14-17;1-25-13-5-4-12(9(7-22(23)24)15(18,19)20)21-14(13)8-2-3-11(17)10(16)6-8;1-15(18,8-20(21)22)13-6-5-12(23-2)14(19-13)9-3-4-11(17)10(16)7-9;1-15(19,8-18)13-6-5-12(21-2)14(20-13)9-3-4-11(17)10(16)7-9;1-15(20,8-19(21)22)13-6-5-12(23-2)14(18-13)9-3-4-11(17)10(16)7-9/h4-5,8-11,14-15,18H,6-7,12-13,30H2,1-3H3;2-7H,1H3;3-7H,8,18H2,1-2H3;3-7H,8,18-19H2,1-2H3;3-7,20H,8H2,1-2H3/b;9-7-;;;.

What are the key properties of 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine?

4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine has a molecular weight of 1865.94 g/mol, XLogP of 19.38, 28 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)pentan-1-one;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-amine;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-nitropropan-2-ol;2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diamine;2-(3-chloro-4-fluorophenyl)-3-methoxy-6-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]pyridine is sourced from PubChem (CID 158058551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).