6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

C122H140N28O12 — CID 157086674

About 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (PubChem CID 157086674) has the molecular formula C122H140N28O12 and a molecular weight of 2190.65 g/mol. Its IUPAC name is 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• PubChem CID: 157086674
• Molecular Formula: C122H140N28O12
• Molecular Weight: 2190.65 g/mol
• Exact Mass: 2189.12
• IUPAC Name: 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• SMILES: CCOC#Cc1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2cnoc2C(C)C)c1=O.CCn1cncc1Cn1c(=O)c(C#CC(C)C)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21.COCCc1ncoc1Cn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.O=c1c(C#CC2CCCC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1Cc1ncoc1-n1cccn1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C32H32N8O3.C32H34N6O4.C29H34N8O.C29H32N6O4.4H2/c41-30-23(9-8-22-5-1-2-6-22)17-24-18-34-32(37-25-10-12-26(13-11-25)43-27-7-3-14-33-19-27)38-29(24)39(30)20-28-31(42-21-35-28)40-16-4-15-36-40;1-37-14-16-41-28(19-37)23-9-11-26(12-10-23)35-32-33-18-25-17-24(8-7-22-5-3-4-6-22)31(39)38(30(25)36-32)20-29-27(13-15-40-2)34-21-42-29;1-4-36-19-31-17-26(36)18-37-27-22(15-21(28(37)38)6-5-20(2)3)16-32-29(35-27)34-24-9-7-23(8-10-24)33-25-11-13-30-14-12-25;1-5-37-13-11-20-14-21-15-30-29(32-23-6-8-24(9-7-23)38-25-10-12-34(4)18-25)33-27(21)35(28(20)36)17-22-16-31-39-26(22)19(2)3;;;;/h4,10-13,15-18,21-22,27,33H,1-3,5-7,14,19-20H2,(H,34,37,38);5,9-12,17-18,21,28H,3-4,6,13-16,19-20H2,1-2H3,(H,33,35,36);7-10,15-17,19-20,25,30,33H,4,11-14,18H2,1-3H3,(H,32,34,35);6-9,14-16,19,25H,5,10,12,17-18H2,1-4H3,(H,30,32,33);4*1H
• InChIKey: AEEACJDIWPMBPL-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 441.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2190.65
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	7
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-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (CID 157086674) is 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

What is the SMILES notation for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The canonical SMILES for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is CCOC#Cc1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2cnoc2C(C)C)c1=O.CCn1cncc1Cn1c(=O)c(C#CC(C)C)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21.COCCc1ncoc1Cn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.O=c1c(C#CC2CCCC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1Cc1ncoc1-n1cccn1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The InChIKey is AEEACJDIWPMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8O3.C32H34N6O4.C29H34N8O.C29H32N6O4.4H2/c41-30-23(9-8-22-5-1-2-6-22)17-24-18-34-32(37-25-10-12-26(13-11-25)43-27-7-3-14-33-19-27)38-29(24)39(30)20-28-31(42-21-35-28)40-16-4-15-36-40;1-37-14-16-41-28(19-37)23-9-11-26(12-10-23)35-32-33-18-25-17-24(8-7-22-5-3-4-6-22)31(39)38(30(25)36-32)20-29-27(13-15-40-2)34-21-42-29;1-4-36-19-31-17-26(36)18-37-27-22(15-21(28(37)38)6-5-20(2)3)16-32-29(35-27)34-24-9-7-23(8-10-24)33-25-11-13-30-14-12-25;1-5-37-13-11-20-14-21-15-30-29(32-23-6-8-24(9-7-23)38-25-10-12-34(4)18-25)33-27(21)35(28(20)36)17-22-16-31-39-26(22)19(2)3;;;;/h4,10-13,15-18,21-22,27,33H,1-3,5-7,14,19-20H2,(H,34,37,38);5,9-12,17-18,21,28H,3-4,6,13-16,19-20H2,1-2H3,(H,33,35,36);7-10,15-17,19-20,25,30,33H,4,11-14,18H2,1-3H3,(H,32,34,35);6-9,14-16,19,25H,5,10,12,17-18H2,1-4H3,(H,30,32,33);4*1H.

What are the key properties of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen has a molecular weight of 2190.65 g/mol, XLogP of 17.73, 30 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-(2-methoxyethyl)-1,3-oxazol-5-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-(4-piperidin-3-yloxyanilino)-8-[(5-pyrazol-1-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-ethylimidazol-4-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is sourced from PubChem (CID 157086674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).