6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C30H34F3N7O2S — CID 90210743

About 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90210743) has the molecular formula C30H34F3N7O2S and a molecular weight of 613.71 g/mol. Its IUPAC name is 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 90210743
• Molecular Formula: C30H34F3N7O2S
• Molecular Weight: 613.71 g/mol
• Exact Mass: 613.24
• IUPAC Name: 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1sc(C2CCCCN2C)nc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(CC(F)(F)F)c1=O
• InChI: InChI=1S/C30H34F3N7O2S/c1-18-25(36-27(43-18)24-6-4-5-12-39(24)3)23-14-19-15-34-29(37-26(19)40(28(23)41)17-30(31,32)33)35-20-7-9-21(10-8-20)42-22-11-13-38(2)16-22/h7-10,14-15,22,24H,4-6,11-13,16-17H2,1-3H3,(H,34,35,37)
• InChIKey: ZISZYUGTTFSANA-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 88.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.71
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 90210743) is 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1sc(C2CCCCN2C)nc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(CC(F)(F)F)c1=O.

What is the InChIKey of 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ZISZYUGTTFSANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N7O2S/c1-18-25(36-27(43-18)24-6-4-5-12-39(24)3)23-14-19-15-34-29(37-26(19)40(28(23)41)17-30(31,32)33)35-20-7-9-21(10-8-20)42-22-11-13-38(2)16-22/h7-10,14-15,22,24H,4-6,11-13,16-17H2,1-3H3,(H,34,35,37).

What are the key properties of 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 613.71 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-methyl-2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90210743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).