7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile

C24H22F3N5O2S — CID 177137205

About 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile

7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 177137205) has the molecular formula C24H22F3N5O2S and a molecular weight of 501.53 g/mol. Its IUPAC name is 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile
• PubChem CID: 177137205
• Molecular Formula: C24H22F3N5O2S
• Molecular Weight: 501.53 g/mol
• Exact Mass: 501.14
• IUPAC Name: 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile
• SMILES: Cc1nc2nc(C3CCOC(c4cn(C)c(=O)s4)C3)nc(C34CC(C(F)(F)F)(C3)C4)c2cc1C#N
• InChI: InChI=1S/C24H22F3N5O2S/c1-12-14(7-28)5-15-18(22-9-23(10-22,11-22)24(25,26)27)30-19(31-20(15)29-12)13-3-4-34-16(6-13)17-8-32(2)21(33)35-17/h5,8,13,16H,3-4,6,9-11H2,1-2H3
• InChIKey: MRCMMBFBSOUIPU-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 93.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.53
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile?

The IUPAC name of 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 177137205) is 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile.

What is the SMILES notation for 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile?

The canonical SMILES for 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile is Cc1nc2nc(C3CCOC(c4cn(C)c(=O)s4)C3)nc(C34CC(C(F)(F)F)(C3)C4)c2cc1C#N.

What is the InChIKey of 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile?

The InChIKey is MRCMMBFBSOUIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2S/c1-12-14(7-28)5-15-18(22-9-23(10-22,11-22)24(25,26)27)30-19(31-20(15)29-12)13-3-4-34-16(6-13)17-8-32(2)21(33)35-17/h5,8,13,16H,3-4,6,9-11H2,1-2H3.

What are the key properties of 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile?

7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 501.53 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-[2-(3-methyl-2-oxo-1,3-thiazol-5-yl)oxan-4-yl]-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 177137205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).