3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol

C26H29F2N7O3 — CID 122474713

About 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol

3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol (PubChem CID 122474713) has the molecular formula C26H29F2N7O3 and a molecular weight of 525.56 g/mol. Its IUPAC name is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol.

Molecular Properties

• Compound Name: 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol
• PubChem CID: 122474713
• Molecular Formula: C26H29F2N7O3
• Molecular Weight: 525.56 g/mol
• Exact Mass: 525.23
• IUPAC Name: 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol
• SMILES: CCCn1cc(N2c3cc(-c4cn(C)nc4C)ncc3CN(c3c(F)c(OC)cc(OC)c3F)C2O)cn1
• InChI: InChI=1S/C26H29F2N7O3/c1-6-7-33-13-17(11-30-33)35-20-8-19(18-14-32(3)31-15(18)2)29-10-16(20)12-34(26(35)36)25-23(27)21(37-4)9-22(38-5)24(25)28/h8-11,13-14,26,36H,6-7,12H2,1-5H3
• InChIKey: PCUGXHNNRZGRJV-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 93.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.56
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol?

The IUPAC name of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol (CID 122474713) is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol.

What is the SMILES notation for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol?

The canonical SMILES for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol is CCCn1cc(N2c3cc(-c4cn(C)nc4C)ncc3CN(c3c(F)c(OC)cc(OC)c3F)C2O)cn1.

What is the InChIKey of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol?

The InChIKey is PCUGXHNNRZGRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O3/c1-6-7-33-13-17(11-30-33)35-20-8-19(18-14-32(3)31-15(18)2)29-10-16(20)12-34(26(35)36)25-23(27)21(37-4)9-22(38-5)24(25)28/h8-11,13-14,26,36H,6-7,12H2,1-5H3.

What are the key properties of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol?

3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dimethylpyrazol-4-yl)-1-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol has a molecular weight of 525.56 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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-(1-propylpyrazol-4-yl)-2,4-dihydropyrido[4,3-d]pyrimidin-2-ol is sourced from PubChem (CID 122474713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).