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

C34H27F2N5O5 — CID 11948065

IUPACN-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-hydroxynaphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2c(O)ccc3ccccc23)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C34H27F2N5O5/c1-18-9-11-20(37-33(46)29-22-6-3-2-5-19(22)10-13-27(29)44)15-24(18)30-23-12-14-28(45)41(31-25(35)7-4-8-26(31)36)32(23)40-34(39-30)38-21(16-42)17-43/h2-15,21,42-44H,16-17H2,1H3,(H,37,46)(H,38,39,40)
InChIKeyUQORLLKXRCLBHM-UHFFFAOYSA-N
MW623.62 g/mol
LogP4.91
Rot. Bonds8

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

N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-hydroxynaphthalene-1-carboxamide (PubChem CID 11948065) has the molecular formula C34H27F2N5O5 and a molecular weight of 623.62 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]-2-hydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-hydroxynaphthalene-1-carboxamide
PubChem CID11948065
Molecular FormulaC34H27F2N5O5
Molecular Weight623.62 g/mol
Exact Mass623.20
IUPAC NameN-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-hydroxynaphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2c(O)ccc3ccccc23)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C34H27F2N5O5/c1-18-9-11-20(37-33(46)29-22-6-3-2-5-19(22)10-13-27(29)44)15-24(18)30-23-12-14-28(45)41(31-25(35)7-4-8-26(31)36)32(23)40-34(39-30)38-21(16-42)17-43/h2-15,21,42-44H,16-17H2,1H3,(H,37,46)(H,38,39,40)
InChIKeyUQORLLKXRCLBHM-UHFFFAOYSA-N
XLogP4.91
TPSA149.60 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.62
LogP ≤ 54.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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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]-2-hydroxynaphthalene-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]-2-hydroxynaphthalene-1-carboxamide (CID 11948065) is N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-hydroxynaphthalene-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]-2-hydroxynaphthalene-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]-2-hydroxynaphthalene-1-carboxamide is Cc1ccc(NC(=O)c2c(O)ccc3ccccc23)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]-2-hydroxynaphthalene-1-carboxamide?
The InChIKey is UQORLLKXRCLBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F2N5O5/c1-18-9-11-20(37-33(46)29-22-6-3-2-5-19(22)10-13-27(29)44)15-24(18)30-23-12-14-28(45)41(31-25(35)7-4-8-26(31)36)32(23)40-34(39-30)38-21(16-42)17-43/h2-15,21,42-44H,16-17H2,1H3,(H,37,46)(H,38,39,40).
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]-2-hydroxynaphthalene-1-carboxamide?
N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-hydroxynaphthalene-1-carboxamide has a molecular weight of 623.62 g/mol, XLogP of 4.91, 8 rotatable bonds, 5 hydrogen bond donors, and 9 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]-2-hydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 11948065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).