6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

C119H127F3N32O7S — CID 162009017

About 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 162009017) has the molecular formula C119H127F3N32O7S and a molecular weight of 2206.60 g/mol. Its IUPAC name is 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 162009017
• Molecular Formula: C119H127F3N32O7S
• Molecular Weight: 2206.60 g/mol
• Exact Mass: 2205.02
• IUPAC Name: 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(-c2nccs2)c1=O.CC#Cc1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2nccnc2C2CCOCC2)c1=O.CN1CCC(C#Cc2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(Cc3cncnc3CC(F)(F)F)c2=O)CC1.CN1CCOC(c2ccc(Nc3ncc4cc(C#CC5CC5)c(=O)n(Cc5nn(C)cc5N5CCOCC5)c4n3)cc2)C1
• InChI: InChI=1S/C33H36F3N9O.C32H36N8O3.C31H34N8O2.C23H21N7OS/c1-44-13-10-22(11-14-44)4-5-23-15-24-18-39-32(42-27-8-6-26(7-9-27)41-28-3-2-12-37-19-28)43-30(24)45(31(23)46)20-25-17-38-21-40-29(25)16-33(34,35)36;1-37-11-16-43-29(21-37)23-7-9-26(10-8-23)34-32-33-18-25-17-24(6-5-22-3-4-22)31(41)40(30(25)35-32)19-27-28(20-38(2)36-27)39-12-14-42-15-13-39;1-3-4-22-17-23-18-34-31(36-25-7-5-24(6-8-25)35-26-9-14-38(2)19-26)37-29(23)39(30(22)40)20-27-28(33-13-12-32-27)21-10-15-41-16-11-21;1-2-15-13-16-14-26-22(29-20(16)30(21(15)31)23-25-11-12-32-23)28-18-5-3-17(4-6-18)27-19-7-9-24-10-8-19/h6-9,15,17-18,21-22,28,37,41H,2-3,10-14,16,19-20H2,1H3,(H,39,42,43);7-10,17-18,20,22,29H,3-4,11-16,19,21H2,1-2H3,(H,33,34,35);5-8,12-13,17-18,21,26,35H,9-11,14-16,19-20H2,1-2H3,(H,34,36,37);1,3-6,11-14,19,24,27H,7-10H2,(H,26,28,29)
• InChIKey: YTFISZIASGCCBG-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 422.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.60
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (CID 162009017) is 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(-c2nccs2)c1=O.CC#Cc1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2nccnc2C2CCOCC2)c1=O.CN1CCC(C#Cc2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(Cc3cncnc3CC(F)(F)F)c2=O)CC1.CN1CCOC(c2ccc(Nc3ncc4cc(C#CC5CC5)c(=O)n(Cc5nn(C)cc5N5CCOCC5)c4n3)cc2)C1.

What is the InChIKey of 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is YTFISZIASGCCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F3N9O.C32H36N8O3.C31H34N8O2.C23H21N7OS/c1-44-13-10-22(11-14-44)4-5-23-15-24-18-39-32(42-27-8-6-26(7-9-27)41-28-3-2-12-37-19-28)43-30(24)45(31(23)46)20-25-17-38-21-40-29(25)16-33(34,35)36;1-37-11-16-43-29(21-37)23-7-9-26(10-8-23)34-32-33-18-25-17-24(6-5-22-3-4-22)31(41)40(30(25)35-32)19-27-28(20-38(2)36-27)39-12-14-42-15-13-39;1-3-4-22-17-23-18-34-31(36-25-7-5-24(6-8-25)35-26-9-14-38(2)19-26)37-29(23)39(30(22)40)20-27-28(33-13-12-32-27)21-10-15-41-16-11-21;1-2-15-13-16-14-26-22(29-20(16)30(21(15)31)23-25-11-12-32-23)28-18-5-3-17(4-6-18)27-19-7-9-24-10-8-19/h6-9,15,17-18,21-22,28,37,41H,2-3,10-14,16,19-20H2,1H3,(H,39,42,43);7-10,17-18,20,22,29H,3-4,11-16,19,21H2,1-2H3,(H,33,34,35);5-8,12-13,17-18,21,26,35H,9-11,14-16,19-20H2,1-2H3,(H,34,36,37);1,3-6,11-14,19,24,27H,7-10H2,(H,26,28,29).

What are the key properties of 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?

6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2206.60 g/mol, XLogP of 14.13, 25 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyclopropylethynyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(1-methyl-4-morpholin-4-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(piperidin-4-ylamino)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)ethynyl]-2-[4-(piperidin-3-ylamino)anilino]-8-[[4-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[3-(oxan-4-yl)pyrazin-2-yl]methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162009017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).