6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C₁₁₄H₁₂₀Cl₄N₂₄O₈ — CID 158783631

About 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158783631) has the molecular formula C₁₁₄H₁₂₀Cl₄N₂₄O₈ and a molecular weight of 2096.19 g/mol. Its IUPAC name is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158783631
• Molecular Formula: C₁₁₄H₁₂₀Cl₄N₂₄O₈
• Molecular Weight: 2096.19 g/mol
• Exact Mass: 2092.85
• IUPAC Name: 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCN(C)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCNCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(CCN4CCCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCNCC4)c3=O)c(Cl)c2)n1
• InChI: InChI=1S/2C29H31ClN6O2.2C28H29ClN6O2/c1-18-4-3-5-26(32-18)19-6-7-23(25(30)15-19)24-14-20-16-31-29(33-21-10-13-38-17-21)34-27(20)36(28(24)37)22-8-11-35(2)12-9-22;1-19-5-4-6-26(32-19)20-7-8-23(25(30)16-20)24-15-21-17-31-29(33-22-9-14-38-18-22)34-27(21)36(28(24)37)13-12-35-10-2-3-11-35;2*1-17-3-2-4-25(32-17)18-5-6-22(24(29)14-18)23-13-19-15-31-28(33-20-9-12-37-16-20)34-26(19)35(27(23)36)21-7-10-30-11-8-21/h3-7,14-16,21-22H,8-13,17H2,1-2H3,(H,31,33,34);4-8,15-17,22H,2-3,9-14,18H2,1H3,(H,31,33,34);2*2-6,13-15,20-21,30H,7-12,16H2,1H3,(H,31,33,34)/t21-;22-;2*20-/m1110/s1
• InChIKey: IRJYPDQNOIWAQH-LYJYIOMOSA-N
• XLogP: 18.94
• TPSA: 358.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2096.19
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 158783631) is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCN(C)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCNCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(CCN4CCCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCNCC4)c3=O)c(Cl)c2)n1.

What is the InChIKey of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IRJYPDQNOIWAQH-LYJYIOMOSA-N. The full InChI is InChI=1S/2C29H31ClN6O2.2C28H29ClN6O2/c1-18-4-3-5-26(32-18)19-6-7-23(25(30)15-19)24-14-20-16-31-29(33-21-10-13-38-17-21)34-27(20)36(28(24)37)22-8-11-35(2)12-9-22;1-19-5-4-6-26(32-19)20-7-8-23(25(30)16-20)24-15-21-17-31-29(33-22-9-14-38-18-22)34-27(21)36(28(24)37)13-12-35-10-2-3-11-35;2*1-17-3-2-4-25(32-17)18-5-6-22(24(29)14-18)23-13-19-15-31-28(33-20-9-12-37-16-20)34-26(19)35(27(23)36)21-7-10-30-11-8-21/h3-7,14-16,21-22H,8-13,17H2,1-2H3,(H,31,33,34);4-8,15-17,22H,2-3,9-14,18H2,1H3,(H,31,33,34);2*2-6,13-15,20-21,30H,7-12,16H2,1H3,(H,31,33,34)/t21-;22-;2*20-/m1110/s1.

What are the key properties of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2096.19 g/mol, XLogP of 18.94, 22 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158783631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158783631 — identifiers, structure, computed properties (public domain)

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