8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

C136H143N29O7 — CID 157288781

About 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 157288781) has the molecular formula C136H143N29O7 and a molecular weight of 2295.84 g/mol. Its IUPAC name is 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157288781
• Molecular Formula: C136H143N29O7
• Molecular Weight: 2295.84 g/mol
• Exact Mass: 2294.17
• IUPAC Name: 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CC#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2CCCC2)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2ncccc2C)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2CCCC2)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ncccc2C)c1=O.Cc1ccccc1Cn1c(=O)c(C#CN(C)C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C30H33N7O.C28H28N6O.C27H26N6O2.C26H29N5O.C25H27N5O2/c1-22-7-5-6-8-24(22)21-37-28-25(19-23(29(37)38)13-14-34(2)3)20-31-30(33-28)32-26-9-11-27(12-10-26)36-17-15-35(4)16-18-36;1-3-6-21-15-23-17-31-28(32-24-11-9-20(10-12-24)22-8-5-13-29-16-22)33-26(23)34(27(21)35)18-25-19(2)7-4-14-30-25;1-3-5-20-14-21-15-30-27(31-22-9-7-19(8-10-22)24-16-28-12-13-35-24)32-25(21)33(26(20)34)17-23-18(2)6-4-11-29-23;1-2-6-19-15-21-17-28-26(30-24(21)31(25(19)32)23-8-3-4-9-23)29-22-12-10-18(11-13-22)20-7-5-14-27-16-20;1-2-5-18-14-19-15-27-25(29-23(19)30(24(18)31)21-6-3-4-7-21)28-20-10-8-17(9-11-20)22-16-26-12-13-32-22/h5-12,19-20H,15-18,21H2,1-4H3,(H,31,32,33);4,7,9-12,14-15,17,22,29H,5,8,13,16,18H2,1-2H3,(H,31,32,33);4,6-11,14-15,24,28H,12-13,16-17H2,1-2H3,(H,30,31,32);10-13,15,17,20,23,27H,3-5,7-9,14,16H2,1H3,(H,28,29,30);8-11,14-15,21-22,26H,3-4,6-7,12-13,16H2,1H3,(H,27,28,29)
• InChIKey: BANXZLJNWXNEMT-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 401.13 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.84
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (CID 157288781) is 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is CC#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2CCCC2)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2ncccc2C)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2CCCC2)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ncccc2C)c1=O.Cc1ccccc1Cn1c(=O)c(C#CN(C)C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BANXZLJNWXNEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O.C28H28N6O.C27H26N6O2.C26H29N5O.C25H27N5O2/c1-22-7-5-6-8-24(22)21-37-28-25(19-23(29(37)38)13-14-34(2)3)20-31-30(33-28)32-26-9-11-27(12-10-26)36-17-15-35(4)16-18-36;1-3-6-21-15-23-17-31-28(32-24-11-9-20(10-12-24)22-8-5-13-29-16-22)33-26(23)34(27(21)35)18-25-19(2)7-4-14-30-25;1-3-5-20-14-21-15-30-27(31-22-9-7-19(8-10-22)24-16-28-12-13-35-24)32-25(21)33(26(20)34)17-23-18(2)6-4-11-29-23;1-2-6-19-15-21-17-28-26(30-24(21)31(25(19)32)23-8-3-4-9-23)29-22-12-10-18(11-13-22)20-7-5-14-27-16-20;1-2-5-18-14-19-15-27-25(29-23(19)30(24(18)31)21-6-3-4-7-21)28-20-10-8-17(9-11-20)22-16-26-12-13-32-22/h5-12,19-20H,15-18,21H2,1-4H3,(H,31,32,33);4,7,9-12,14-15,17,22,29H,5,8,13,16,18H2,1-2H3,(H,31,32,33);4,6-11,14-15,24,28H,12-13,16-17H2,1-2H3,(H,30,31,32);10-13,15,17,20,23,27H,3-5,7-9,14,16H2,1H3,(H,28,29,30);8-11,14-15,21-22,26H,3-4,6-7,12-13,16H2,1H3,(H,27,28,29).

What are the key properties of 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?

8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2295.84 g/mol, XLogP of 19.13, 23 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-[2-(dimethylamino)ethynyl]-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157288781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).