8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine

C21H16F3N3O — CID 141065203

IUPAC8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine
SMILESCOc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1c(F)cccc1F)CC=C2
InChIInChI=1S/C21H16F3N3O/c1-12-11-13(22)8-9-14(12)18-15-5-4-10-27(20(15)26-21(25-18)28-2)19-16(23)6-3-7-17(19)24/h3-9,11H,10H2,1-2H3
InChIKeyKODDVWUTMJIZHK-UHFFFAOYSA-N
MW383.37 g/mol
LogP5.04
Rot. Bonds3

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine (PubChem CID 141065203) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine
PubChem CID141065203
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine
SMILESCOc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1c(F)cccc1F)CC=C2
InChIInChI=1S/C21H16F3N3O/c1-12-11-13(22)8-9-14(12)18-15-5-4-10-27(20(15)26-21(25-18)28-2)19-16(23)6-3-7-17(19)24/h3-9,11H,10H2,1-2H3
InChIKeyKODDVWUTMJIZHK-UHFFFAOYSA-N
XLogP5.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
CID 141065177
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 68676905
4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine
CID 141076952
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]-8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 21114374
N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
CID 59639614
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639647
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639607
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one
CID 137143855
N-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156295
2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine
CID 62125233
3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine
CID 62225965
2-(4-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 55249543

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine (CID 141065203) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine is COc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1c(F)cccc1F)CC=C2.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine?
The InChIKey is KODDVWUTMJIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c1-12-11-13(22)8-9-14(12)18-15-5-4-10-27(20(15)26-21(25-18)28-2)19-16(23)6-3-7-17(19)24/h3-9,11H,10H2,1-2H3.
What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine?
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine has a molecular weight of 383.37 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 141065203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).