2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide

C31H25F4N5O4 — CID 11949342

About 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide

2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide (PubChem CID 11949342) has the molecular formula C31H25F4N5O4 and a molecular weight of 607.56 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide
• PubChem CID: 11949342
• Molecular Formula: C31H25F4N5O4
• Molecular Weight: 607.56 g/mol
• Exact Mass: 607.18
• IUPAC Name: 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide
• SMILES: Cc1ccc(NC(=O)Cc2cccc(F)c2F)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
• InChI: InChI=1S/C31H25F4N5O4/c1-16-8-9-18(36-25(43)12-17-4-2-5-22(32)27(17)35)13-21(16)28-20-10-11-26(44)40(29-23(33)6-3-7-24(29)34)30(20)39-31(38-28)37-19(14-41)15-42/h2-11,13,19,41-42H,12,14-15H2,1H3,(H,36,43)(H,37,38,39)
• InChIKey: JYPHKXGPRULDJF-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 129.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.56
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide?

The IUPAC name of 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide (CID 11949342) is 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide.

What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide?

The canonical SMILES for 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide is Cc1ccc(NC(=O)Cc2cccc(F)c2F)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F.

What is the InChIKey of 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide?

The InChIKey is JYPHKXGPRULDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F4N5O4/c1-16-8-9-18(36-25(43)12-17-4-2-5-22(32)27(17)35)13-21(16)28-20-10-11-26(44)40(29-23(33)6-3-7-24(29)34)30(20)39-31(38-28)37-19(14-41)15-42/h2-11,13,19,41-42H,12,14-15H2,1H3,(H,36,43)(H,37,38,39).

What are the key properties of 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide?

2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide has a molecular weight of 607.56 g/mol, XLogP of 4.26, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-difluorophenyl)-N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]acetamide is sourced from PubChem (CID 11949342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).