methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate

C24H19ClF2N4O3 — CID 147337509

IUPACmethyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)c(F)cc3F)nc2c1
InChIInChI=1S/C24H19ClF2N4O3/c1-33-24(32)13-8-21-20(28-11-13)6-5-19(29-21)15-12-31(22-4-2-3-7-34-22)30-23(15)14-9-16(25)18(27)10-17(14)26/h5-6,8-12,22H,2-4,7H2,1H3
InChIKeyDCVKFWCZFPSLAO-UHFFFAOYSA-N
MW484.89 g/mol
LogP5.58
Rot. Bonds4

About methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate

methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate (PubChem CID 147337509) has the molecular formula C24H19ClF2N4O3 and a molecular weight of 484.89 g/mol. Its IUPAC name is methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
PubChem CID147337509
Molecular FormulaC24H19ClF2N4O3
Molecular Weight484.89 g/mol
Exact Mass484.11
IUPAC Namemethyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)c(F)cc3F)nc2c1
InChIInChI=1S/C24H19ClF2N4O3/c1-33-24(32)13-8-21-20(28-11-13)6-5-19(29-21)15-12-31(22-4-2-3-7-34-22)30-23(15)14-9-16(25)18(27)10-17(14)26/h5-6,8-12,22H,2-4,7H2,1H3
InChIKeyDCVKFWCZFPSLAO-UHFFFAOYSA-N
XLogP5.58
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.89
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate 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 methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate (CID 147337509) is methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate is COC(=O)c1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)c(F)cc3F)nc2c1.
What is the InChIKey of methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The InChIKey is DCVKFWCZFPSLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N4O3/c1-33-24(32)13-8-21-20(28-11-13)6-5-19(29-21)15-12-31(22-4-2-3-7-34-22)30-23(15)14-9-16(25)18(27)10-17(14)26/h5-6,8-12,22H,2-4,7H2,1H3.
What are the key properties of methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate has a molecular weight of 484.89 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 147337509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).