N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide

C32H28FN5O4 — CID 156906944

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2n[nH]c3c2COCC3)cc1
InChIInChI=1S/C32H28FN5O4/c33-24-6-1-4-21(18-24)12-15-35-31(39)30(23-5-2-14-34-19-23)38(32(40)28-7-3-16-42-28)25-10-8-22(9-11-25)29-26-20-41-17-13-27(26)36-37-29/h1-11,14,16,18-19,30H,12-13,15,17,20H2,(H,35,39)(H,36,37)
InChIKeyJZXMWXQMFWCKGG-UHFFFAOYSA-N
MW565.61 g/mol
LogP5.02
Rot. Bonds9

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide (PubChem CID 156906944) has the molecular formula C32H28FN5O4 and a molecular weight of 565.61 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide
PubChem CID156906944
Molecular FormulaC32H28FN5O4
Molecular Weight565.61 g/mol
Exact Mass565.21
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2n[nH]c3c2COCC3)cc1
InChIInChI=1S/C32H28FN5O4/c33-24-6-1-4-21(18-24)12-15-35-31(39)30(23-5-2-14-34-19-23)38(32(40)28-7-3-16-42-28)25-10-8-22(9-11-25)29-26-20-41-17-13-27(26)36-37-29/h1-11,14,16,18-19,30H,12-13,15,17,20H2,(H,35,39)(H,36,37)
InChIKeyJZXMWXQMFWCKGG-UHFFFAOYSA-N
XLogP5.02
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.61
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide 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 N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide (CID 156906944) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2n[nH]c3c2COCC3)cc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is JZXMWXQMFWCKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN5O4/c33-24-6-1-4-21(18-24)12-15-35-31(39)30(23-5-2-14-34-19-23)38(32(40)28-7-3-16-42-28)25-10-8-22(9-11-25)29-26-20-41-17-13-27(26)36-37-29/h1-11,14,16,18-19,30H,12-13,15,17,20H2,(H,35,39)(H,36,37).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 565.61 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 156906944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).