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

C24H35N7O5S — CID 135484081

IUPAC3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1
InChIInChI=1S/C24H35N7O5S/c1-5-13-36-24-18(15-17(16-25-24)37(33,34)30-10-8-29(7-3)9-11-30)22-26-20-19(6-2)31(12-14-35-4)28-21(20)23(32)27-22/h15-16H,5-14H2,1-4H3,(H,26,27,32)
InChIKeyRQYWQMXXGVLLGB-UHFFFAOYSA-N
MW533.66 g/mol
LogP1.51
Rot. Bonds11

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

3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135484081) has the molecular formula C24H35N7O5S and a molecular weight of 533.66 g/mol. Its IUPAC name is 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135484081
Molecular FormulaC24H35N7O5S
Molecular Weight533.66 g/mol
Exact Mass533.24
IUPAC Name3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1
InChIInChI=1S/C24H35N7O5S/c1-5-13-36-24-18(15-17(16-25-24)37(33,34)30-10-8-29(7-3)9-11-30)22-26-20-19(6-2)31(12-14-35-4)28-21(20)23(32)27-22/h15-16H,5-14H2,1-4H3,(H,26,27,32)
InChIKeyRQYWQMXXGVLLGB-UHFFFAOYSA-N
XLogP1.51
TPSA135.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.66
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

Gisadenafil
CID 135536943
3-Ethyl-5-(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-propoxyphenyl)-2-(pyridin-2-ylmethyl)-2,6-dihydro-7H-pyrazolo(4,3-d)pyrimidin-7-one
CID 135430996
(R)-3-ethyl-5-(5-(4-ethylpiperazin-1-ylsulfonyl)-2-(1-methoxypropan-2-yloxy)pyridin-3-yl)-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135430955
5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-3-ethyl-2-(1-methylazetidin-3-yl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135536977
Gisadenafil Besylate
CID 135564628
5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-(1-ethyl-3-azetidinyl)-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135427992
5-(5-acetyl-2-propoxypyridin-3-yl)-3-ethyl-2-(1-methylazetidin-3-yl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135438524
UK-357903
CID 135456180
5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[2-(morpholin-4-yl)ethyl]-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135487696
5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(1-ethylpiperidin-4-yl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135491781
5-(5-acetyl-2-isobutoxy-3-pyridinyl)-3-ethyl-2-(1-methyl-3-azetidinyl)-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135491938
5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-(4-piperidinyl)-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135505809

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135484081) is 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1.
What is the InChIKey of 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is RQYWQMXXGVLLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O5S/c1-5-13-36-24-18(15-17(16-25-24)37(33,34)30-10-8-29(7-3)9-11-30)22-26-20-19(6-2)31(12-14-35-4)28-21(20)23(32)27-22/h15-16H,5-14H2,1-4H3,(H,26,27,32).
What are the key properties of 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 533.66 g/mol, XLogP of 1.51, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridinyl]-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135484081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).