2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine

C38H37F3N4O3 — CID 145262593

IUPAC2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine
SMILESCN1CCC(F)(F)CC1.Nc1ccc(C2CC2C(=O)NCCc2cc3cc(-c4ccc(C=O)cc4)cc(-c4ccc(F)cc4)c3o2)cn1
InChIInChI=1S/C32H26FN3O3.C6H11F2N/c33-25-8-5-21(6-9-25)28-15-23(20-3-1-19(18-37)2-4-20)13-24-14-26(39-31(24)28)11-12-35-32(38)29-16-27(29)22-7-10-30(34)36-17-22;1-9-4-2-6(7,8)3-5-9/h1-10,13-15,17-18,27,29H,11-12,16H2,(H2,34,36)(H,35,38);2-5H2,1H3
InChIKeyHHPRIVIVFNXUIT-UHFFFAOYSA-N
MW654.73 g/mol
LogP7.51
Rot. Bonds8

About 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine

2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine (PubChem CID 145262593) has the molecular formula C38H37F3N4O3 and a molecular weight of 654.73 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine
PubChem CID145262593
Molecular FormulaC38H37F3N4O3
Molecular Weight654.73 g/mol
Exact Mass654.28
IUPAC Name2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine
SMILESCN1CCC(F)(F)CC1.Nc1ccc(C2CC2C(=O)NCCc2cc3cc(-c4ccc(C=O)cc4)cc(-c4ccc(F)cc4)c3o2)cn1
InChIInChI=1S/C32H26FN3O3.C6H11F2N/c33-25-8-5-21(6-9-25)28-15-23(20-3-1-19(18-37)2-4-20)13-24-14-26(39-31(24)28)11-12-35-32(38)29-16-27(29)22-7-10-30(34)36-17-22;1-9-4-2-6(7,8)3-5-9/h1-10,13-15,17-18,27,29H,11-12,16H2,(H2,34,36)(H,35,38);2-5H2,1H3
InChIKeyHHPRIVIVFNXUIT-UHFFFAOYSA-N
XLogP7.51
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine?
The IUPAC name of 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine (CID 145262593) is 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine is CN1CCC(F)(F)CC1.Nc1ccc(C2CC2C(=O)NCCc2cc3cc(-c4ccc(C=O)cc4)cc(-c4ccc(F)cc4)c3o2)cn1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine?
The InChIKey is HHPRIVIVFNXUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN3O3.C6H11F2N/c33-25-8-5-21(6-9-25)28-15-23(20-3-1-19(18-37)2-4-20)13-24-14-26(39-31(24)28)11-12-35-32(38)29-16-27(29)22-7-10-30(34)36-17-22;1-9-4-2-6(7,8)3-5-9/h1-10,13-15,17-18,27,29H,11-12,16H2,(H2,34,36)(H,35,38);2-5H2,1H3.
What are the key properties of 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine?
2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine has a molecular weight of 654.73 g/mol, XLogP of 7.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-N-[2-[7-(4-fluorophenyl)-5-(4-formylphenyl)-1-benzofuran-2-yl]ethyl]cyclopropane-1-carboxamide;4,4-difluoro-1-methylpiperidine is sourced from PubChem (CID 145262593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).