6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one

C108H112Cl4N22O9 — CID 157416242

About 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157416242) has the molecular formula C108H112Cl4N22O9 and a molecular weight of 2004.04 g/mol. Its IUPAC name is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157416242
• Molecular Formula: C108H112Cl4N22O9
• Molecular Weight: 2004.04 g/mol
• Exact Mass: 2000.77
• IUPAC Name: 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CNC(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NCCC3CCN(C)CC3)nc21.COCCCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(N[C@@H]3CCOC3)nc21.COCCCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(N[C@H]3CCOC3)nc21
• InChI: InChI=1S/C29H33ClN6O.2C27H28ClN5O3.C25H23ClN6O2/c1-4-36-27-22(18-32-29(34-27)31-13-10-20-11-14-35(3)15-12-20)16-24(28(36)37)23-9-8-21(17-25(23)30)26-7-5-6-19(2)33-26;2*1-17-5-3-6-24(30-17)18-7-8-21(23(28)14-18)22-13-19-15-29-27(31-20-9-12-36-16-20)32-25(19)33(26(22)34)10-4-11-35-2;1-3-32-23-16(12-28-25(31-23)30-17-11-22(33)27-13-17)9-19(24(32)34)18-8-7-15(10-20(18)26)21-6-4-5-14(2)29-21/h5-9,16-18,20H,4,10-15H2,1-3H3,(H,31,32,34);2*3,5-8,13-15,20H,4,9-12,16H2,1-2H3,(H,29,31,32);4-10,12,17H,3,11,13H2,1-2H3,(H,27,33)(H,28,30,31)/t;2*20-;/m.10./s1
• InChIKey: BOWNLFUPQWIZAJ-NVEKIWFESA-N
• XLogP: 18.89
• TPSA: 360.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2004.04
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 157416242) is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CNC(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NCCC3CCN(C)CC3)nc21.COCCCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(N[C@@H]3CCOC3)nc21.COCCCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(N[C@H]3CCOC3)nc21.

What is the InChIKey of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BOWNLFUPQWIZAJ-NVEKIWFESA-N. The full InChI is InChI=1S/C29H33ClN6O.2C27H28ClN5O3.C25H23ClN6O2/c1-4-36-27-22(18-32-29(34-27)31-13-10-20-11-14-35(3)15-12-20)16-24(28(36)37)23-9-8-21(17-25(23)30)26-7-5-6-19(2)33-26;2*1-17-5-3-6-24(30-17)18-7-8-21(23(28)14-18)22-13-19-15-29-27(31-20-9-12-36-16-20)32-25(19)33(26(22)34)10-4-11-35-2;1-3-32-23-16(12-28-25(31-23)30-17-11-22(33)27-13-17)9-19(24(32)34)18-8-7-15(10-20(18)26)21-6-4-5-14(2)29-21/h5-9,16-18,20H,4,10-15H2,1-3H3,(H,31,32,34);2*3,5-8,13-15,20H,4,9-12,16H2,1-2H3,(H,29,31,32);4-10,12,17H,3,11,13H2,1-2H3,(H,27,33)(H,28,30,31)/t;2*20-;/m.10./s1.

What are the key properties of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2004.04 g/mol, XLogP of 18.89, 28 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(5-oxopyrrolidin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157416242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).