2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide

C24H19F6N7O — CID 118545147

About 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide

2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 118545147) has the molecular formula C24H19F6N7O and a molecular weight of 535.45 g/mol. Its IUPAC name is 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 118545147
• Molecular Formula: C24H19F6N7O
• Molecular Weight: 535.45 g/mol
• Exact Mass: 535.16
• IUPAC Name: 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(CC(=O)NCC(F)(F)F)cn3)C2)cc1C(F)(F)F
• InChI: InChI=1S/C24H19F6N7O/c25-23(26,27)12-33-21(38)7-14-1-4-20(32-10-14)36-22-17-5-6-37(11-19(17)34-13-35-22)16-3-2-15(9-31)18(8-16)24(28,29)30/h1-4,8,10,13H,5-7,11-12H2,(H,33,38)(H,32,34,35,36)
• InChIKey: ASKOALZGBIATBT-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 106.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.45
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 118545147) is 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide is N#Cc1ccc(N2CCc3c(ncnc3Nc3ccc(CC(=O)NCC(F)(F)F)cn3)C2)cc1C(F)(F)F.

What is the InChIKey of 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is ASKOALZGBIATBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N7O/c25-23(26,27)12-33-21(38)7-14-1-4-20(32-10-14)36-22-17-5-6-37(11-19(17)34-13-35-22)16-3-2-15(9-31)18(8-16)24(28,29)30/h1-4,8,10,13H,5-7,11-12H2,(H,33,38)(H,32,34,35,36).

What are the key properties of 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?

2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 535.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[7-[4-cyano-3-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 118545147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).