4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide

C28H25FN4O2 — CID 175869738

IUPAC4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC2(CCC2)C1)c1c(-c2ccc(F)cc2)c2cccnc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C28H25FN4O2/c29-20-8-6-19(7-9-20)23-22-5-2-13-31-25(22)33(17-18-4-1-12-30-16-18)27(35)24(23)26(34)32-21-14-28(15-21)10-3-11-28/h1-2,4-9,12-13,16,21H,3,10-11,14-15,17H2,(H,32,34)
InChIKeyJILKKTXGARFMNS-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.71
Rot. Bonds5

About 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide

4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 175869738) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID175869738
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC2(CCC2)C1)c1c(-c2ccc(F)cc2)c2cccnc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C28H25FN4O2/c29-20-8-6-19(7-9-20)23-22-5-2-13-31-25(22)33(17-18-4-1-12-30-16-18)27(35)24(23)26(34)32-21-14-28(15-21)10-3-11-28/h1-2,4-9,12-13,16,21H,3,10-11,14-15,17H2,(H,32,34)
InChIKeyJILKKTXGARFMNS-UHFFFAOYSA-N
XLogP4.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-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 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide (CID 175869738) is 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide is O=C(NC1CC2(CCC2)C1)c1c(-c2ccc(F)cc2)c2cccnc2n(Cc2cccnc2)c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is JILKKTXGARFMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c29-20-8-6-19(7-9-20)23-22-5-2-13-31-25(22)33(17-18-4-1-12-30-16-18)27(35)24(23)26(34)32-21-14-28(15-21)10-3-11-28/h1-2,4-9,12-13,16,21H,3,10-11,14-15,17H2,(H,32,34).
What are the key properties of 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 175869738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).