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

C14H13N5O3S — CID 135831460

IUPACN-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C14H13N5O3S/c1-22-10-5-3-2-4-9(10)16-11(20)7-23-14-17-12-8(6-15-19-12)13(21)18-14/h2-6H,7H2,1H3,(H,16,20)(H2,15,17,18,19,21)
InChIKeyHMJPOIHSEWGOFS-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.39
Rot. Bonds5

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

N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 135831460) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID135831460
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC NameN-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C14H13N5O3S/c1-22-10-5-3-2-4-9(10)16-11(20)7-23-14-17-12-8(6-15-19-12)13(21)18-14/h2-6H,7H2,1H3,(H,16,20)(H2,15,17,18,19,21)
InChIKeyHMJPOIHSEWGOFS-UHFFFAOYSA-N
XLogP1.39
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (CID 135831460) is N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is COc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is HMJPOIHSEWGOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-22-10-5-3-2-4-9(10)16-11(20)7-23-14-17-12-8(6-15-19-12)13(21)18-14/h2-6H,7H2,1H3,(H,16,20)(H2,15,17,18,19,21).
What are the key properties of N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 331.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 135831460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).