7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C98H87ClF15N29O4S — CID 158797625

About 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 158797625) has the molecular formula C98H87ClF15N29O4S and a molecular weight of 2087.46 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 158797625
• Molecular Formula: C98H87ClF15N29O4S
• Molecular Weight: 2087.46 g/mol
• Exact Mass: 2085.67
• IUPAC Name: 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• SMILES: COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccn1)C2.CS(=O)(=O)CCNC(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2cccnc2)C3)cc1.FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2cnccn2)C3)cc1.FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2ncccn2)C3)cc1
• InChI: InChI=1S/C23H22ClF3N6O3S.C20H19F3N6O.C19H16F3N5.2C18H15F3N6/c1-37(35,36)12-10-29-22(34)20-31-18-13-33(21-17(24)3-2-9-28-21)11-8-16(18)19(32-20)30-15-6-4-14(5-7-15)23(25,26)27;1-30-12-17-27-16-11-29(19-24-8-2-9-25-19)10-7-15(16)18(28-17)26-14-5-3-13(4-6-14)20(21,22)23;20-19(21,22)13-3-5-14(6-4-13)26-18-16-7-9-27(11-17(16)24-12-25-18)15-2-1-8-23-10-15;19-18(20,21)12-2-4-13(5-3-12)26-16-14-6-9-27(10-15(14)24-11-25-16)17-22-7-1-8-23-17;19-18(20,21)12-1-3-13(4-2-12)26-17-14-5-8-27(10-15(14)24-11-25-17)16-9-22-6-7-23-16/h2-7,9H,8,10-13H2,1H3,(H,29,34)(H,30,31,32);2-6,8-9H,7,10-12H2,1H3,(H,26,27,28);1-6,8,10,12H,7,9,11H2,(H,24,25,26);1-5,7-8,11H,6,9-10H2,(H,24,25,26);1-4,6-7,9,11H,5,8,10H2,(H,24,25,26)
• InChIKey: ITBFKLVSIZHHQN-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 380.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2087.46
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 158797625) is 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccn1)C2.CS(=O)(=O)CCNC(=O)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2cccnc2)C3)cc1.FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2cnccn2)C3)cc1.FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2ncccn2)C3)cc1.

What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is ITBFKLVSIZHHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N6O3S.C20H19F3N6O.C19H16F3N5.2C18H15F3N6/c1-37(35,36)12-10-29-22(34)20-31-18-13-33(21-17(24)3-2-9-28-21)11-8-16(18)19(32-20)30-15-6-4-14(5-7-15)23(25,26)27;1-30-12-17-27-16-11-29(19-24-8-2-9-25-19)10-7-15(16)18(28-17)26-14-5-3-13(4-6-14)20(21,22)23;20-19(21,22)13-3-5-14(6-4-13)26-18-16-7-9-27(11-17(16)24-12-25-18)15-2-1-8-23-10-15;19-18(20,21)12-2-4-13(5-3-12)26-16-14-6-9-27(10-15(14)24-11-25-16)17-22-7-1-8-23-17;19-18(20,21)12-1-3-13(4-2-12)26-17-14-5-8-27(10-15(14)24-11-25-17)16-9-22-6-7-23-16/h2-7,9H,8,10-13H2,1H3,(H,29,34)(H,30,31,32);2-6,8-9H,7,10-12H2,1H3,(H,26,27,28);1-6,8,10,12H,7,9,11H2,(H,24,25,26);1-5,7-8,11H,6,9-10H2,(H,24,25,26);1-4,6-7,9,11H,5,8,10H2,(H,24,25,26).

What are the key properties of 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 2087.46 g/mol, XLogP of 18.74, 21 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158797625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).