5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C107H140N26O24S5 — CID 165016597

IUPAC5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CCCO)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CCO)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CN)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CO)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(O)C4)ccc3OCC)nc12
InChIInChI=1S/C23H31N5O5S.C22H29N5O5S.C21H28N6O4S.C21H27N5O5S.C20H25N5O5S/c1-4-7-18-20-21(27(3)26-18)23(30)25-22(24-20)17-12-16(9-10-19(17)33-5-2)34(31,32)28-13-15(14-28)8-6-11-29;1-4-6-17-19-20(26(3)25-17)22(29)24-21(23-19)16-11-15(7-8-18(16)32-5-2)33(30,31)27-12-14(13-27)9-10-28;1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-9-14(7-8-17(15)31-5-2)32(29,30)27-11-13(10-22)12-27;1-4-6-16-18-19(25(3)24-16)21(28)23-20(22-18)15-9-14(7-8-17(15)31-5-2)32(29,30)26-10-13(11-26)12-27;1-4-6-15-17-18(24(3)23-15)20(27)22-19(21-17)14-9-13(7-8-16(14)30-5-2)31(28,29)25-10-12(26)11-25/h9-10,12,15,29H,4-8,11,13-14H2,1-3H3,(H,24,25,30);7-8,11,14,28H,4-6,9-10,12-13H2,1-3H3,(H,23,24,29);7-9,13H,4-6,10-12,22H2,1-3H3,(H,23,24,28);7-9,13,27H,4-6,10-12H2,1-3H3,(H,22,23,28);7-9,12,26H,4-6,10-11H2,1-3H3,(H,21,22,27)
InChIKeyKNDHNJSZZRVWLD-UHFFFAOYSA-N
MW2334.79 g/mol
LogP7.33
Rot. Bonds42

About 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 165016597) has the molecular formula C107H140N26O24S5 and a molecular weight of 2334.79 g/mol. Its IUPAC name is 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID165016597
Molecular FormulaC107H140N26O24S5
Molecular Weight2334.79 g/mol
Exact Mass2332.91
IUPAC Name5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CCCO)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CCO)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CN)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CO)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(O)C4)ccc3OCC)nc12
InChIInChI=1S/C23H31N5O5S.C22H29N5O5S.C21H28N6O4S.C21H27N5O5S.C20H25N5O5S/c1-4-7-18-20-21(27(3)26-18)23(30)25-22(24-20)17-12-16(9-10-19(17)33-5-2)34(31,32)28-13-15(14-28)8-6-11-29;1-4-6-17-19-20(26(3)25-17)22(29)24-21(23-19)16-11-15(7-8-18(16)32-5-2)33(30,31)27-12-14(13-27)9-10-28;1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-9-14(7-8-17(15)31-5-2)32(29,30)27-11-13(10-22)12-27;1-4-6-16-18-19(25(3)24-16)21(28)23-20(22-18)15-9-14(7-8-17(15)31-5-2)32(29,30)26-10-13(11-26)12-27;1-4-6-15-17-18(24(3)23-15)20(27)22-19(21-17)14-9-13(7-8-16(14)30-5-2)31(28,29)25-10-12(26)11-25/h9-10,12,15,29H,4-8,11,13-14H2,1-3H3,(H,24,25,30);7-8,11,14,28H,4-6,9-10,12-13H2,1-3H3,(H,23,24,29);7-9,13H,4-6,10-12,22H2,1-3H3,(H,23,24,28);7-9,13,27H,4-6,10-12H2,1-3H3,(H,22,23,28);7-9,12,26H,4-6,10-11H2,1-3H3,(H,21,22,27)
InChIKeyKNDHNJSZZRVWLD-UHFFFAOYSA-N
XLogP7.33
TPSA657.84 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002334.79
LogP ≤ 57.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one with MolForge

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Related Compounds

3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylazetidin-3-yl]propyl hexanoate
CID 167703728
5-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135565522
ethyl 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 135529005
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-[2-ethoxy-5-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135949536
5-[2-ethoxy-5-[4-(1,3,5-trihydroxypentan-3-yl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 146634983
4-ethoxy-N-hydroxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonamide
CID 136862437
4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 135444791
1-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]propane-1,2-dione
CID 162360816
butanedioic acid;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135545942
3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylazetidin-3-yl]propyl 6,7-dinitrooxyheptanoate;3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylazetidin-3-yl]propyl 4-nitrooxybutanoate;3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylazetidin-3-yl]propyl 6-nitrooxyhexanoate;3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylazetidin-3-yl]propyl 5-nitrooxypentanoate
CID 164952358
ethoxy-[[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]methyl]-oxophosphanium
CID 135543114

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 165016597) is 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CCCO)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CCO)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CN)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(CO)C4)ccc3OCC)nc12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(O)C4)ccc3OCC)nc12.
What is the InChIKey of 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is KNDHNJSZZRVWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O5S.C22H29N5O5S.C21H28N6O4S.C21H27N5O5S.C20H25N5O5S/c1-4-7-18-20-21(27(3)26-18)23(30)25-22(24-20)17-12-16(9-10-19(17)33-5-2)34(31,32)28-13-15(14-28)8-6-11-29;1-4-6-17-19-20(26(3)25-17)22(29)24-21(23-19)16-11-15(7-8-18(16)32-5-2)33(30,31)27-12-14(13-27)9-10-28;1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-9-14(7-8-17(15)31-5-2)32(29,30)27-11-13(10-22)12-27;1-4-6-16-18-19(25(3)24-16)21(28)23-20(22-18)15-9-14(7-8-17(15)31-5-2)32(29,30)26-10-13(11-26)12-27;1-4-6-15-17-18(24(3)23-15)20(27)22-19(21-17)14-9-13(7-8-16(14)30-5-2)31(28,29)25-10-12(26)11-25/h9-10,12,15,29H,4-8,11,13-14H2,1-3H3,(H,24,25,30);7-8,11,14,28H,4-6,9-10,12-13H2,1-3H3,(H,23,24,29);7-9,13H,4-6,10-12,22H2,1-3H3,(H,23,24,28);7-9,13,27H,4-6,10-12H2,1-3H3,(H,22,23,28);7-9,12,26H,4-6,10-11H2,1-3H3,(H,21,22,27).
What are the key properties of 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 2334.79 g/mol, XLogP of 7.33, 42 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(aminomethyl)azetidin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(2-hydroxyethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(hydroxymethyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-[3-(3-hydroxypropyl)azetidin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 165016597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).