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

C22H20Cl2N6O4 — CID 67333550

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

4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide (PubChem CID 67333550) has the molecular formula C22H20Cl2N6O4 and a molecular weight of 503.35 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)-1-methylpyrrole-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)-1-methylpyrrole-2-carboxamide
• PubChem CID: 67333550
• Molecular Formula: C22H20Cl2N6O4
• Molecular Weight: 503.35 g/mol
• Exact Mass: 502.09
• IUPAC Name: 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
• SMILES: COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2c(N)nc(-c3cc(C(=O)NCCO)n(C)c3)nc21
• InChI: InChI=1S/C22H20Cl2N6O4/c1-29-10-11(8-16(29)21(32)26-6-7-31)19-27-18(25)13-9-12(17-14(23)4-3-5-15(17)24)22(33)30(34-2)20(13)28-19/h3-5,8-10,31H,6-7H2,1-2H3,(H,26,32)(H2,25,27,28)
• InChIKey: ZIUJGMNUDDVEGF-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 137.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.35
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	3
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)-1-methylpyrrole-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)-1-methylpyrrole-2-carboxamide (CID 67333550) is 4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-1-methylpyrrole-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)-1-methylpyrrole-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)-1-methylpyrrole-2-carboxamide is COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2c(N)nc(-c3cc(C(=O)NCCO)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)-1-methylpyrrole-2-carboxamide?

The InChIKey is ZIUJGMNUDDVEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O4/c1-29-10-11(8-16(29)21(32)26-6-7-31)19-27-18(25)13-9-12(17-14(23)4-3-5-15(17)24)22(33)30(34-2)20(13)28-19/h3-5,8-10,31H,6-7H2,1-2H3,(H,26,32)(H2,25,27,28).

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)-1-methylpyrrole-2-carboxamide?

4-[4-amino-6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 503.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 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)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 67333550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).