3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one

C26H22F3N5O3 — CID 122474001

IUPAC3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(C)nc4C)cc3N(c3ccc(F)cc3)C2=O)c1F
InChIInChI=1S/C26H22F3N5O3/c1-14-18(13-32(2)31-14)19-9-20-15(11-30-19)12-33(26(35)34(20)17-7-5-16(27)6-8-17)25-23(28)21(36-3)10-22(37-4)24(25)29/h5-11,13H,12H2,1-4H3
InChIKeyPSNRCYARJJQAQK-UHFFFAOYSA-N
MW509.49 g/mol
LogP5.50
Rot. Bonds5

About 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one

3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 122474001) has the molecular formula C26H22F3N5O3 and a molecular weight of 509.49 g/mol. Its IUPAC name is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID122474001
Molecular FormulaC26H22F3N5O3
Molecular Weight509.49 g/mol
Exact Mass509.17
IUPAC Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(C)nc4C)cc3N(c3ccc(F)cc3)C2=O)c1F
InChIInChI=1S/C26H22F3N5O3/c1-14-18(13-32(2)31-14)19-9-20-15(11-30-19)12-33(26(35)34(20)17-7-5-16(27)6-8-17)25-23(28)21(36-3)10-22(37-4)24(25)29/h5-11,13H,12H2,1-4H3
InChIKeyPSNRCYARJJQAQK-UHFFFAOYSA-N
XLogP5.50
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.49
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one 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 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one (CID 122474001) is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one is COc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(C)nc4C)cc3N(c3ccc(F)cc3)C2=O)c1F.
What is the InChIKey of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is PSNRCYARJJQAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O3/c1-14-18(13-32(2)31-14)19-9-20-15(11-30-19)12-33(26(35)34(20)17-7-5-16(27)6-8-17)25-23(28)21(36-3)10-22(37-4)24(25)29/h5-11,13H,12H2,1-4H3.
What are the key properties of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 509.49 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 122474001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).