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

C24H21F2N5O4 — CID 172803202

IUPAC2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(-c2nc(NC(CO)CO)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1
InChIInChI=1S/C24H21F2N5O4/c1-12-5-6-14(22(27)35)16(9-12)20-15-7-8-19(34)31(21-17(25)3-2-4-18(21)26)23(15)30-24(29-20)28-13(10-32)11-33/h2-9,13,32-33H,10-11H2,1H3,(H2,27,35)(H,28,29,30)
InChIKeyRDNWSLLIMQAXHM-UHFFFAOYSA-N
MW481.46 g/mol
LogP1.90
Rot. Bonds7

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

2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide (PubChem CID 172803202) has the molecular formula C24H21F2N5O4 and a molecular weight of 481.46 g/mol. Its IUPAC name is 2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound Name2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide
PubChem CID172803202
Molecular FormulaC24H21F2N5O4
Molecular Weight481.46 g/mol
Exact Mass481.16
IUPAC Name2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(-c2nc(NC(CO)CO)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1
InChIInChI=1S/C24H21F2N5O4/c1-12-5-6-14(22(27)35)16(9-12)20-15-7-8-19(34)31(21-17(25)3-2-4-18(21)26)23(15)30-24(29-20)28-13(10-32)11-33/h2-9,13,32-33H,10-11H2,1H3,(H2,27,35)(H,28,29,30)
InChIKeyRDNWSLLIMQAXHM-UHFFFAOYSA-N
XLogP1.90
TPSA143.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-propylbenzamide
CID 11948181
3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide
CID 11947897
N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-3,4-dimethylbenzamide
CID 11949283
N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2,2,2-trifluoro-N-(4-fluorophenyl)acetamide
CID 87427397
N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 67511609
3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 11948281
3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-N-heptyl-4-methylbenzamide;2,2,2-trifluoroacetic acid
CID 67512374
N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 87427628
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;2,2,2-trifluoroacetic acid
CID 68666478
[1-(3,5-difluorophenyl)-2-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylanilino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 87429691
[1-(2,3-difluorophenyl)-2-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylanilino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 87427916
(2,2,2-trifluoroacetyl) 4-[[3-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylanilino]-3-oxopropyl]amino]-4-oxobutanoate
CID 87427934

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
The IUPAC name of 2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide (CID 172803202) is 2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for 2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
The canonical SMILES for 2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide is Cc1ccc(C(N)=O)c(-c2nc(NC(CO)CO)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1.
What is the InChIKey of 2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
The InChIKey is RDNWSLLIMQAXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O4/c1-12-5-6-14(22(27)35)16(9-12)20-15-7-8-19(34)31(21-17(25)3-2-4-18(21)26)23(15)30-24(29-20)28-13(10-32)11-33/h2-9,13,32-33H,10-11H2,1H3,(H2,27,35)(H,28,29,30).
What are the key properties of 2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide has a molecular weight of 481.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 172803202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).