1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one

C27H25F6N5O2 — CID 177138214

About 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one

1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one (PubChem CID 177138214) has the molecular formula C27H25F6N5O2 and a molecular weight of 565.52 g/mol. Its IUPAC name is 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one
• PubChem CID: 177138214
• Molecular Formula: C27H25F6N5O2
• Molecular Weight: 565.52 g/mol
• Exact Mass: 565.19
• IUPAC Name: 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one
• SMILES: Cc1nc2nc(C3CCOC(c4ccc(=O)n(N(C)C)c4)C3)nc(C3=C=CC(C(F)(F)F)C3)c2cc1C(F)(F)F
• InChI: InChI=1S/C27H25F6N5O2/c1-14-20(27(31,32)33)12-19-23(15-4-6-18(10-15)26(28,29)30)35-24(36-25(19)34-14)16-8-9-40-21(11-16)17-5-7-22(39)38(13-17)37(2)3/h5-7,12-13,16,18,21H,8-11H2,1-3H3
• InChIKey: VQRPTJCZSIQWQM-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 73.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.52
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one?

The IUPAC name of 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one (CID 177138214) is 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one.

What is the SMILES notation for 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one?

The canonical SMILES for 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one is Cc1nc2nc(C3CCOC(c4ccc(=O)n(N(C)C)c4)C3)nc(C3=C=CC(C(F)(F)F)C3)c2cc1C(F)(F)F.

What is the InChIKey of 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one?

The InChIKey is VQRPTJCZSIQWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6N5O2/c1-14-20(27(31,32)33)12-19-23(15-4-6-18(10-15)26(28,29)30)35-24(36-25(19)34-14)16-8-9-40-21(11-16)17-5-7-22(39)38(13-17)37(2)3/h5-7,12-13,16,18,21H,8-11H2,1-3H3.

What are the key properties of 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one?

1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one has a molecular weight of 565.52 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(dimethylamino)-5-[4-[7-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)cyclopenta-1,2-dien-1-yl]pyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]pyridin-2-one is sourced from PubChem (CID 177138214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).