N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine

C32H35ClFN3O2 — CID 164910822

About N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine

N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine (PubChem CID 164910822) has the molecular formula C32H35ClFN3O2 and a molecular weight of 548.10 g/mol. Its IUPAC name is N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine.

Molecular Properties

• Compound Name: N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine
• PubChem CID: 164910822
• Molecular Formula: C32H35ClFN3O2
• Molecular Weight: 548.10 g/mol
• Exact Mass: 547.24
• IUPAC Name: N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine
• SMILES: C=c1c(OC)cc(/C=N/CC(CCC)c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3C)c/c1=C/NC1CC1
• InChI: InChI=1S/C32H35ClFN3O2/c1-5-6-23(16-35-15-21-11-24(17-36-25-8-9-25)20(3)30(12-21)38-4)29-14-26-19(2)18-39-32(26)31(37-29)22-7-10-28(34)27(33)13-22/h7,10-15,17,19,23,25,36H,3,5-6,8-9,16,18H2,1-2,4H3/b24-17-,35-15+
• InChIKey: OAZMUSVVAQGGTL-GOHSPHQISA-N
• XLogP: 5.95
• TPSA: 55.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.10
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine?

The IUPAC name of N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine (CID 164910822) is N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine.

What is the SMILES notation for N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine?

The canonical SMILES for N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine is C=c1c(OC)cc(/C=N/CC(CCC)c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3C)c/c1=C/NC1CC1.

What is the InChIKey of N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine?

The InChIKey is OAZMUSVVAQGGTL-GOHSPHQISA-N. The full InChI is InChI=1S/C32H35ClFN3O2/c1-5-6-23(16-35-15-21-11-24(17-36-25-8-9-25)20(3)30(12-21)38-4)29-14-26-19(2)18-39-32(26)31(37-29)22-7-10-28(34)27(33)13-22/h7,10-15,17,19,23,25,36H,3,5-6,8-9,16,18H2,1-2,4H3/b24-17-,35-15+.

What are the key properties of N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine?

N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine has a molecular weight of 548.10 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine is sourced from PubChem (CID 164910822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).