(3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane

C34H43ClF4N4O4 — CID 164911375

About (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane

(3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane (PubChem CID 164911375) has the molecular formula C34H43ClF4N4O4 and a molecular weight of 683.19 g/mol. Its IUPAC name is (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane.

Molecular Properties

• Compound Name: (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane
• PubChem CID: 164911375
• Molecular Formula: C34H43ClF4N4O4
• Molecular Weight: 683.19 g/mol
• Exact Mass: 682.29
• IUPAC Name: (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane
• SMILES: C=c1ccc(C(=O)NCC(c2cc3c(c(-c4cc(Cl)c(F)cc4F)n2)OCC3C)C2(F)CC2)c/c1=C/NC(C)F.CN.CO.COC
• InChI: InChI=1S/C30H28ClF4N3O2.C2H6O.CH5N.CH4O/c1-15-4-5-18(8-19(15)12-36-17(3)32)29(39)37-13-22(30(35)6-7-30)26-10-20-16(2)14-40-28(20)27(38-26)21-9-23(31)25(34)11-24(21)33;1-3-2;2*1-2/h4-5,8-12,16-17,22,36H,1,6-7,13-14H2,2-3H3,(H,37,39);1-2H3;2H2,1H3;2H,1H3/b19-12-
• InChIKey: LFONCNBVIOCVKG-AOEYRECCSA-N
• XLogP: 4.69
• TPSA: 118.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	683.19
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane?

The IUPAC name of (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane (CID 164911375) is (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane.

What is the SMILES notation for (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane?

The canonical SMILES for (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane is C=c1ccc(C(=O)NCC(c2cc3c(c(-c4cc(Cl)c(F)cc4F)n2)OCC3C)C2(F)CC2)c/c1=C/NC(C)F.CN.CO.COC.

What is the InChIKey of (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane?

The InChIKey is LFONCNBVIOCVKG-AOEYRECCSA-N. The full InChI is InChI=1S/C30H28ClF4N3O2.C2H6O.CH5N.CH4O/c1-15-4-5-18(8-19(15)12-36-17(3)32)29(39)37-13-22(30(35)6-7-30)26-10-20-16(2)14-40-28(20)27(38-26)21-9-23(31)25(34)11-24(21)33;1-3-2;2*1-2/h4-5,8-12,16-17,22,36H,1,6-7,13-14H2,2-3H3,(H,37,39);1-2H3;2H2,1H3;2H,1H3/b19-12-;;;.

What are the key properties of (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane?

(3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane has a molecular weight of 683.19 g/mol, XLogP of 4.69, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)ethyl]-3-[(1-fluoroethylamino)methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide;methanamine;methanol;methoxymethane is sourced from PubChem (CID 164911375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).