4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide

C23H22Cl2N6O4 — CID 67332270

About 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide

4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 67332270) has the molecular formula C23H22Cl2N6O4 and a molecular weight of 517.37 g/mol. Its IUPAC name is 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
• PubChem CID: 67332270
• Molecular Formula: C23H22Cl2N6O4
• Molecular Weight: 517.37 g/mol
• Exact Mass: 516.11
• IUPAC Name: 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
• SMILES: COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2c(N)nc(-c3cc(C(=O)N(C)CCO)n(C)c3)nc21
• InChI: InChI=1S/C23H22Cl2N6O4/c1-29(7-8-32)23(34)17-9-12(11-30(17)2)20-27-19(26)14-10-13(18-15(24)5-4-6-16(18)25)22(33)31(35-3)21(14)28-20/h4-6,9-11,32H,7-8H2,1-3H3,(H2,26,27,28)
• InChIKey: QMLGDOLMLXCZOS-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 128.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.37
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?

The IUPAC name of 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide (CID 67332270) is 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide.

What is the SMILES notation for 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?

The canonical SMILES for 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide is COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2c(N)nc(-c3cc(C(=O)N(C)CCO)n(C)c3)nc21.

What is the InChIKey of 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?

The InChIKey is QMLGDOLMLXCZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O4/c1-29(7-8-32)23(34)17-9-12(11-30(17)2)20-27-19(26)14-10-13(18-15(24)5-4-6-16(18)25)22(33)31(35-3)21(14)28-20/h4-6,9-11,32H,7-8H2,1-3H3,(H2,26,27,28).

What are the key properties of 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?

4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 517.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 67332270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).