6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate

C41H44Cl4N10O4 — CID 160650065

About 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate

6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 160650065) has the molecular formula C41H44Cl4N10O4 and a molecular weight of 882.68 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
• PubChem CID: 160650065
• Molecular Formula: C41H44Cl4N10O4
• Molecular Weight: 882.68 g/mol
• Exact Mass: 880.23
• IUPAC Name: 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
• SMILES: COC(=O)N1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)CC1.ClCCl.Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCNCC3)nc21
• InChI: InChI=1S/C21H22ClN5O3.C19H20ClN5O.CH2Cl2/c1-26-18-13(11-16(19(26)28)15-5-3-4-6-17(15)22)12-23-20(25-18)24-14-7-9-27(10-8-14)21(29)30-2;1-25-17-12(10-15(18(25)26)14-4-2-3-5-16(14)20)11-22-19(24-17)23-13-6-8-21-9-7-13;2-1-3/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,24,25);2-5,10-11,13,21H,6-9H2,1H3,(H,22,23,24);1H2
• InChIKey: RKHMBRHIGRPGIG-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 161.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	882.68
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate?

The IUPAC name of 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate (CID 160650065) is 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate.

What is the SMILES notation for 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate?

The canonical SMILES for 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)CC1.ClCCl.Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCNCC3)nc21.

What is the InChIKey of 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate?

The InChIKey is RKHMBRHIGRPGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3.C19H20ClN5O.CH2Cl2/c1-26-18-13(11-16(19(26)28)15-5-3-4-6-17(15)22)12-23-20(25-18)24-14-7-9-27(10-8-14)21(29)30-2;1-25-17-12(10-15(18(25)26)14-4-2-3-5-16(14)20)11-22-19(24-17)23-13-6-8-21-9-7-13;2-1-3/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,24,25);2-5,10-11,13,21H,6-9H2,1H3,(H,22,23,24);1H2.

What are the key properties of 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate?

6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 882.68 g/mol, XLogP of 7.53, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 160650065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).