5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride

C24H21ClF2N6O4S — CID 164925094

About 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride

5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride (PubChem CID 164925094) has the molecular formula C24H21ClF2N6O4S and a molecular weight of 562.99 g/mol. Its IUPAC name is 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride.

Molecular Properties

• Compound Name: 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride
• PubChem CID: 164925094
• Molecular Formula: C24H21ClF2N6O4S
• Molecular Weight: 562.99 g/mol
• Exact Mass: 562.10
• IUPAC Name: 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride
• SMILES: C[C@@H]1CN(C)CCN1c1nc(=O)n(-c2cncc(S(=O)(=O)Cl)c2)c2nc(-c3c(O)cccc3F)c(F)cc12
• InChI: InChI=1S/C24H21ClF2N6O4S/c1-13-12-31(2)6-7-32(13)22-16-9-18(27)21(20-17(26)4-3-5-19(20)34)29-23(16)33(24(35)30-22)14-8-15(11-28-10-14)38(25,36)37/h3-5,8-11,13,34H,6-7,12H2,1-2H3/t13-/m1/s1
• InChIKey: AUISDSKAMBQOQQ-CYBMUJFWSA-N
• XLogP: 2.89
• TPSA: 121.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.99
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride?

The IUPAC name of 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride (CID 164925094) is 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride.

What is the SMILES notation for 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride?

The canonical SMILES for 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride is C[C@@H]1CN(C)CCN1c1nc(=O)n(-c2cncc(S(=O)(=O)Cl)c2)c2nc(-c3c(O)cccc3F)c(F)cc12.

What is the InChIKey of 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride?

The InChIKey is AUISDSKAMBQOQQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H21ClF2N6O4S/c1-13-12-31(2)6-7-32(13)22-16-9-18(27)21(20-17(26)4-3-5-19(20)34)29-23(16)33(24(35)30-22)14-8-15(11-28-10-14)38(25,36)37/h3-5,8-11,13,34H,6-7,12H2,1-2H3/t13-/m1/s1.

What are the key properties of 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride?

5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride has a molecular weight of 562.99 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(2R)-2,4-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]pyridine-3-sulfonyl chloride is sourced from PubChem (CID 164925094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).