N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide

C18H20ClFN4O2S — CID 135773711

IUPACN-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)N1CCc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2C1
InChIInChI=1S/C18H20ClFN4O2S/c1-10(2)24-6-5-15-12(8-24)17(26)23-18(22-15)27-9-16(25)21-11-3-4-14(20)13(19)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyAZBNJJFHZHCSLQ-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.06
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135773711) has the molecular formula C18H20ClFN4O2S and a molecular weight of 410.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135773711
Molecular FormulaC18H20ClFN4O2S
Molecular Weight410.90 g/mol
Exact Mass410.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)N1CCc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2C1
InChIInChI=1S/C18H20ClFN4O2S/c1-10(2)24-6-5-15-12(8-24)17(26)23-18(22-15)27-9-16(25)21-11-3-4-14(20)13(19)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyAZBNJJFHZHCSLQ-UHFFFAOYSA-N
XLogP3.06
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(4-oxo-6-propyl-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135546918
N-(3-chloro-4-fluorophenyl)-2-[(4-hydroxy-2-pyrimidinyl)thio]acetamide
CID 973107
2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
CID 2954194
N-(3-chlorophenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259073
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
CID 135401487
N-(4-Chloro-2-fluorophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-YL)sulfanyl]acetamide
CID 135544637
N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
CID 135543441
N-(4-chloro-2-fluorophenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135543448
N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
CID 135623265
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-chlorophenyl)propanamide
CID 3352225
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 135407474
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
CID 1264253

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 135773711) is N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide is CC(C)N1CCc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is AZBNJJFHZHCSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O2S/c1-10(2)24-6-5-15-12(8-24)17(26)23-18(22-15)27-9-16(25)21-11-3-4-14(20)13(19)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 410.90 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135773711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).