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

C24H21F2N5O4 — CID 59212692

IUPACN-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(NC(CO)CO)nc3c2ccc(=O)n3-c2ccc(F)cc2F)c1
InChIInChI=1S/C24H21F2N5O4/c1-13(34)27-16-4-2-3-14(9-16)22-18-6-8-21(35)31(20-7-5-15(25)10-19(20)26)23(18)30-24(29-22)28-17(11-32)12-33/h2-10,17,32-33H,11-12H2,1H3,(H,27,34)(H,28,29,30)
InChIKeyWNQLHIDBHZXKLW-UHFFFAOYSA-N
MW481.46 g/mol
LogP2.45
Rot. Bonds7

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

N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 59212692) has the molecular formula C24H21F2N5O4 and a molecular weight of 481.46 g/mol. Its IUPAC name is N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide
PubChem CID59212692
Molecular FormulaC24H21F2N5O4
Molecular Weight481.46 g/mol
Exact Mass481.16
IUPAC NameN-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(NC(CO)CO)nc3c2ccc(=O)n3-c2ccc(F)cc2F)c1
InChIInChI=1S/C24H21F2N5O4/c1-13(34)27-16-4-2-3-14(9-16)22-18-6-8-21(35)31(20-7-5-15(25)10-19(20)26)23(18)30-24(29-22)28-17(11-32)12-33/h2-10,17,32-33H,11-12H2,1H3,(H,27,34)(H,28,29,30)
InChIKeyWNQLHIDBHZXKLW-UHFFFAOYSA-N
XLogP2.45
TPSA129.37 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 ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chloro-4-fluorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 10367725
4-chloro-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-chloro-8-(2,4-difluorophenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 158334982
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
[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
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
2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 59789333
[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
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
(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
[1-[[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]carbamoyl]naphthalen-2-yl] 2,2,2-trifluoroacetate
CID 68666480
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
2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]acetic acid
CID 59639631

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide (CID 59212692) is N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc(NC(CO)CO)nc3c2ccc(=O)n3-c2ccc(F)cc2F)c1.
What is the InChIKey of N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is WNQLHIDBHZXKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O4/c1-13(34)27-16-4-2-3-14(9-16)22-18-6-8-21(35)31(20-7-5-15(25)10-19(20)26)23(18)30-24(29-22)28-17(11-32)12-33/h2-10,17,32-33H,11-12H2,1H3,(H,27,34)(H,28,29,30).
What are the key properties of N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide?
N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 481.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 59212692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).