2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C24H33N7O4S — CID 135790106

IUPAC2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(C3CCC3)nc2c(=O)[nH]1
InChIInChI=1S/C24H33N7O4S/c1-4-19-20-21(28-31(19)16-8-7-9-16)23(32)27-22(26-20)18-14-17(15-25-24(18)35-6-3)36(33,34)30-12-10-29(5-2)11-13-30/h14-16H,4-13H2,1-3H3,(H,26,27,32)
InChIKeyGMRKCXFZJBCTEM-UHFFFAOYSA-N
MW515.64 g/mol
LogP2.19
Rot. Bonds8

About 2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135790106) has the molecular formula C24H33N7O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is 2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135790106
Molecular FormulaC24H33N7O4S
Molecular Weight515.64 g/mol
Exact Mass515.23
IUPAC Name2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(C3CCC3)nc2c(=O)[nH]1
InChIInChI=1S/C24H33N7O4S/c1-4-19-20-21(28-31(19)16-8-7-9-16)23(32)27-22(26-20)18-14-17(15-25-24(18)35-6-3)36(33,34)30-12-10-29(5-2)11-13-30/h14-16H,4-13H2,1-3H3,(H,26,27,32)
InChIKeyGMRKCXFZJBCTEM-UHFFFAOYSA-N
XLogP2.19
TPSA126.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135810290
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
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
6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135850605
5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(1-ethylazetidin-3-yl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135515565
5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(1-ethylazetidin-3-yl)-6H-pyrazolo[4,3-d]pyrimidin-7-one;hydrochloride
CID 135673971
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
5-[5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]sulfonyl-2-ethoxy-3-pyridinyl]-3-propyl-2-(pyridin-2-ylmethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135529109
5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135723151
8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
CID 135544363

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 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) is 2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(C3CCC3)nc2c(=O)[nH]1.
What is the InChIKey of 2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is GMRKCXFZJBCTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4S/c1-4-19-20-21(28-31(19)16-8-7-9-16)23(32)27-22(26-20)18-14-17(15-25-24(18)35-6-3)36(33,34)30-12-10-29(5-2)11-13-30/h14-16H,4-13H2,1-3H3,(H,26,27,32).
What are the key properties of 2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 515.64 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135790106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).