N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide

C24H29FN4O4S — CID 75271319

IUPACN-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSC2NC(=O)C3CN(Cc4ccc(F)cc4)CCC3N2)cc(OC)c1
InChIInChI=1S/C24H29FN4O4S/c1-32-18-9-17(10-19(11-18)33-2)26-22(30)14-34-24-27-21-7-8-29(13-20(21)23(31)28-24)12-15-3-5-16(25)6-4-15/h3-6,9-11,20-21,24,27H,7-8,12-14H2,1-2H3,(H,26,30)(H,28,31)
InChIKeyXRTLNXNPRMHCFZ-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.41
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide

N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 75271319) has the molecular formula C24H29FN4O4S and a molecular weight of 488.59 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID75271319
Molecular FormulaC24H29FN4O4S
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSC2NC(=O)C3CN(Cc4ccc(F)cc4)CCC3N2)cc(OC)c1
InChIInChI=1S/C24H29FN4O4S/c1-32-18-9-17(10-19(11-18)33-2)26-22(30)14-34-24-27-21-7-8-29(13-20(21)23(31)28-24)12-15-3-5-16(25)6-4-15/h3-6,9-11,20-21,24,27H,7-8,12-14H2,1-2H3,(H,26,30)(H,28,31)
InChIKeyXRTLNXNPRMHCFZ-UHFFFAOYSA-N
XLogP2.41
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 75157928
2-[(6-benzyl-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 78262195
N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 75118750
2-[[6-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 73220655
ethyl 4-[[2-[[4-oxo-6-(2-phenylethyl)-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
CID 78262212
3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26401672
2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide
CID 74527023
N-(3,5-dimethoxyphenyl)-2-[6-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 18592653
N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25457122
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
N-cyclopentyl-N-[[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-fluorobenzamide
CID 42862531
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide (CID 75271319) is N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide is COc1cc(NC(=O)CSC2NC(=O)C3CN(Cc4ccc(F)cc4)CCC3N2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is XRTLNXNPRMHCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4S/c1-32-18-9-17(10-19(11-18)33-2)26-22(30)14-34-24-27-21-7-8-29(13-20(21)23(31)28-24)12-15-3-5-16(25)6-4-15/h3-6,9-11,20-21,24,27H,7-8,12-14H2,1-2H3,(H,26,30)(H,28,31).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 75271319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).