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

C34H26F3N5O4 — CID 11948066

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

N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-4-fluoronaphthalene-1-carboxamide (PubChem CID 11948066) has the molecular formula C34H26F3N5O4 and a molecular weight of 625.61 g/mol. Its IUPAC name is N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-4-fluoronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-4-fluoronaphthalene-1-carboxamide
• PubChem CID: 11948066
• Molecular Formula: C34H26F3N5O4
• Molecular Weight: 625.61 g/mol
• Exact Mass: 625.19
• IUPAC Name: N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-4-fluoronaphthalene-1-carboxamide
• SMILES: Cc1ccc(NC(=O)c2ccc(F)c3ccccc23)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
• InChI: InChI=1S/C34H26F3N5O4/c1-18-9-10-19(38-33(46)23-11-13-26(35)22-6-3-2-5-21(22)23)15-25(18)30-24-12-14-29(45)42(31-27(36)7-4-8-28(31)37)32(24)41-34(40-30)39-20(16-43)17-44/h2-15,20,43-44H,16-17H2,1H3,(H,38,46)(H,39,40,41)
• InChIKey: QIUYJOYTSFAOHT-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 129.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.61
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-4-fluoronaphthalene-1-carboxamide (CID 11948066) is N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-4-fluoronaphthalene-1-carboxamide.

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

The canonical SMILES for N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-4-fluoronaphthalene-1-carboxamide is Cc1ccc(NC(=O)c2ccc(F)c3ccccc23)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F.

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

The InChIKey is QIUYJOYTSFAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F3N5O4/c1-18-9-10-19(38-33(46)23-11-13-26(35)22-6-3-2-5-21(22)23)15-25(18)30-24-12-14-29(45)42(31-27(36)7-4-8-28(31)37)32(24)41-34(40-30)39-20(16-43)17-44/h2-15,20,43-44H,16-17H2,1H3,(H,38,46)(H,39,40,41).

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

N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-4-fluoronaphthalene-1-carboxamide has a molecular weight of 625.61 g/mol, XLogP of 5.34, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-4-fluoronaphthalene-1-carboxamide is sourced from PubChem (CID 11948066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).