N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide

C23H22F2N4O3S — CID 135631261

IUPACN-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3F)[nH]c(=O)c2C1
InChIInChI=1S/C23H22F2N4O3S/c1-32-20-5-3-2-4-14(20)11-29-9-8-18-16(12-29)22(31)28-23(27-18)33-13-21(30)26-19-7-6-15(24)10-17(19)25/h2-7,10H,8-9,11-13H2,1H3,(H,26,30)(H,27,28,31)
InChIKeyCFKYUOQHLINCHX-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.35
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 135631261) has the molecular formula C23H22F2N4O3S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID135631261
Molecular FormulaC23H22F2N4O3S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3F)[nH]c(=O)c2C1
InChIInChI=1S/C23H22F2N4O3S/c1-32-20-5-3-2-4-14(20)11-29-9-8-18-16(12-29)22(31)28-23(27-18)33-13-21(30)26-19-7-6-15(24)10-17(19)25/h2-7,10H,8-9,11-13H2,1H3,(H,26,30)(H,27,28,31)
InChIKeyCFKYUOQHLINCHX-UHFFFAOYSA-N
XLogP3.35
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclobutylsulfanyl-3-phenyl-6-[2-[5-[4-(trifluoromethyl)phenoxy]pentylamino]acetyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 78322970
2-{[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 135419163
2-(3-Ethyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-(3-methoxy-phenyl)-acetamide
CID 1071918
2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 2617282
N-(4-methoxyphenyl)-2-{[4-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydroquinazolin-2-yl]thio}acetamide
CID 3239130
2-[(1-Ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16008562
N-(2-methoxybenzyl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 16020414
N-(2-Methoxyphenyl)-1-methyl-6-oxo-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-YL)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carboxamide
CID 16032217
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-((2-oxo-2-(phenethylamino)ethyl)thio)-1,6-dihydropyrimidine-5-carboxamide
CID 18572158
N-(4-fluorophenyl)-2-[(4-methoxybenzyl)amino]-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
CID 135425049
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
CID 136026149
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136043275

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide (CID 135631261) is N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide is COc1ccccc1CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3F)[nH]c(=O)c2C1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is CFKYUOQHLINCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3S/c1-32-20-5-3-2-4-14(20)11-29-9-8-18-16(12-29)22(31)28-23(27-18)33-13-21(30)26-19-7-6-15(24)10-17(19)25/h2-7,10H,8-9,11-13H2,1H3,(H,26,30)(H,27,28,31).
What are the key properties of N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135631261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).