N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide

C15H15N5O4S — CID 135831471

IUPACN-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C15H15N5O4S/c1-23-10-4-3-8(5-11(10)24-2)17-12(21)7-25-15-18-13-9(6-16-20-13)14(22)19-15/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19,20,22)
InChIKeyABDQVATWNQJECJ-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.39
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide

N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 135831471) has the molecular formula C15H15N5O4S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID135831471
Molecular FormulaC15H15N5O4S
Molecular Weight361.38 g/mol
Exact Mass361.08
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C15H15N5O4S/c1-23-10-4-3-8(5-11(10)24-2)17-12(21)7-25-15-18-13-9(6-16-20-13)14(22)19-15/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19,20,22)
InChIKeyABDQVATWNQJECJ-UHFFFAOYSA-N
XLogP1.39
TPSA121.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (CID 135831471) is N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is ABDQVATWNQJECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S/c1-23-10-4-3-8(5-11(10)24-2)17-12(21)7-25-15-18-13-9(6-16-20-13)14(22)19-15/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 361.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 135831471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).