6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H23N5O2S — CID 24911888

IUPAC6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCc3nc(SC)ncc3C2)cc1OC
InChIInChI=1S/C20H23N5O2S/c1-26-17-5-4-13(8-18(17)27-2)19-15(10-22-24-19)12-25-7-6-16-14(11-25)9-21-20(23-16)28-3/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,22,24)
InChIKeyRMEIQHLGYBPFKJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.16
Rot. Bonds6

About 6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911888) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911888
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCc3nc(SC)ncc3C2)cc1OC
InChIInChI=1S/C20H23N5O2S/c1-26-17-5-4-13(8-18(17)27-2)19-15(10-22-24-19)12-25-7-6-16-14(11-25)9-21-20(23-16)28-3/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,22,24)
InChIKeyRMEIQHLGYBPFKJ-UHFFFAOYSA-N
XLogP3.16
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916340
6-[(2,6-dimethoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928964
6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911314
6-[(2-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929342
6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911308
5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2,4-triol
CID 24928418
6-[[5-(3,5-difluorophenyl)-1H-pyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24916074
2-cyclohexyl-6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911297
4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol
CID 135942093
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916718
6-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911873
6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910166

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911888) is 6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(-c2[nH]ncc2CN2CCc3nc(SC)ncc3C2)cc1OC.
What is the InChIKey of 6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RMEIQHLGYBPFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-26-17-5-4-13(8-18(17)27-2)19-15(10-22-24-19)12-25-7-6-16-14(11-25)9-21-20(23-16)28-3/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,22,24).
What are the key properties of 6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 397.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).