3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C24H22F3N5O4 — CID 118875507

About 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 118875507) has the molecular formula C24H22F3N5O4 and a molecular weight of 501.47 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 118875507
• Molecular Formula: C24H22F3N5O4
• Molecular Weight: 501.47 g/mol
• Exact Mass: 501.16
• IUPAC Name: 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: Cc1cncc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1
• InChI: InChI=1S/C24H22F3N5O4/c1-14-8-16(12-28-10-14)36-18-13-30-21-20(22(34)32(6-3-7-33)23(35)31(21)2)17(18)9-15-4-5-19(29-11-15)24(25,26)27/h4-5,8,10-13,33H,3,6-7,9H2,1-2H3
• InChIKey: AHZTWHGURKPTSJ-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 112.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.47
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 118875507) is 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1cncc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1.

What is the InChIKey of 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is AHZTWHGURKPTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O4/c1-14-8-16(12-28-10-14)36-18-13-30-21-20(22(34)32(6-3-7-33)23(35)31(21)2)17(18)9-15-4-5-19(29-11-15)24(25,26)27/h4-5,8,10-13,33H,3,6-7,9H2,1-2H3.

What are the key properties of 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?

3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 501.47 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118875507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).