5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C18H23N7O4S — CID 135723151

IUPAC5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1ncc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(C)n(C)nc2c(=O)[nH]1
InChIInChI=1S/C18H23N7O4S/c1-11-14-15(22-24(11)3)17(26)21-16(20-14)13-9-12(10-19-18(13)29-4)30(27,28)25-7-5-23(2)6-8-25/h9-10H,5-8H2,1-4H3,(H,20,21,26)
InChIKeyUQQKWMBBFHXQOZ-UHFFFAOYSA-N
MW433.49 g/mol
LogP-0.03
Rot. Bonds4

About 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135723151) has the molecular formula C18H23N7O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135723151
Molecular FormulaC18H23N7O4S
Molecular Weight433.49 g/mol
Exact Mass433.15
IUPAC Name5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1ncc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(C)n(C)nc2c(=O)[nH]1
InChIInChI=1S/C18H23N7O4S/c1-11-14-15(22-24(11)3)17(26)21-16(20-14)13-9-12(10-19-18(13)29-4)30(27,28)25-7-5-23(2)6-8-25/h9-10H,5-8H2,1-4H3,(H,20,21,26)
InChIKeyUQQKWMBBFHXQOZ-UHFFFAOYSA-N
XLogP-0.03
TPSA126.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-ethoxy-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135767311
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135462939
2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135790106
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-2-phenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135469678
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135810290
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrobromide
CID 135545922
5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-3-pyridin-3-yl-2-(pyrimidin-2-ylmethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135431037
1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 155668784
2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-methyl-3H-purino[9,8-a]pyridin-4-one
CID 135964421
1-methyl-5-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-propoxy-3-pyridinyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135730634
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-propyl-1-(pyrimidin-2-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135816362
2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,7-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135515575

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135723151) is 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is COc1ncc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(C)n(C)nc2c(=O)[nH]1.
What is the InChIKey of 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is UQQKWMBBFHXQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O4S/c1-11-14-15(22-24(11)3)17(26)21-16(20-14)13-9-12(10-19-18(13)29-4)30(27,28)25-7-5-23(2)6-8-25/h9-10H,5-8H2,1-4H3,(H,20,21,26).
What are the key properties of 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 433.49 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135723151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).