5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C55H78N14O10S2 — CID 157290195

IUPAC5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC(=O)N5CCCCC5)CC4)ccc3OCC)nn12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCN5CCOCC5)CC4)ccc3OCC)nc12
InChIInChI=1S/C28H39N7O5S.C27H39N7O5S/c1-4-9-24-29-20(3)26-28(37)30-27(31-35(24)26)22-18-21(10-11-23(22)40-5-2)41(38,39)34-16-14-32(15-17-34)19-25(36)33-12-7-6-8-13-33;1-4-6-22-24-25(31(3)30-22)27(35)29-26(28-24)21-19-20(7-8-23(21)39-5-2)40(36,37)34-13-11-32(12-14-34)9-10-33-15-17-38-18-16-33/h10-11,18H,4-9,12-17,19H2,1-3H3,(H,30,31,37);7-8,19H,4-6,9-18H2,1-3H3,(H,28,29,35)
InChIKeyBASBYZXDJMRROD-UHFFFAOYSA-N
MW1159.45 g/mol
LogP3.38
Rot. Bonds19

About 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 157290195) has the molecular formula C55H78N14O10S2 and a molecular weight of 1159.45 g/mol. Its IUPAC name is 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID157290195
Molecular FormulaC55H78N14O10S2
Molecular Weight1159.45 g/mol
Exact Mass1158.55
IUPAC Name5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC(=O)N5CCCCC5)CC4)ccc3OCC)nn12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCN5CCOCC5)CC4)ccc3OCC)nc12
InChIInChI=1S/C28H39N7O5S.C27H39N7O5S/c1-4-9-24-29-20(3)26-28(37)30-27(31-35(24)26)22-18-21(10-11-23(22)40-5-2)41(38,39)34-16-14-32(15-17-34)19-25(36)33-12-7-6-8-13-33;1-4-6-22-24-25(31(3)30-22)27(35)29-26(28-24)21-19-20(7-8-23(21)39-5-2)40(36,37)34-13-11-32(12-14-34)9-10-33-15-17-38-18-16-33/h10-11,18H,4-9,12-17,19H2,1-3H3,(H,30,31,37);7-8,19H,4-6,9-18H2,1-3H3,(H,28,29,35)
InChIKeyBASBYZXDJMRROD-UHFFFAOYSA-N
XLogP3.38
TPSA259.10 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one with MolForge

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Related Compounds

2-[4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 136985292
7-Cyclopentyl-2-[2-ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135489408
2-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-5-ethyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135544159
2-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 136286746
5-[2-ethoxy-5-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135874584
5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135874585
2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonyl-[2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylamino]ethyl]amino]acetic acid
CID 135898912
4-ethoxy-N-[2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonyl-(2-hydroxyethyl)amino]ethyl]-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonamide
CID 135898944
4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 136180330
4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 136180331
Lodenafil Carbonate
CID 135431100
4-[4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-benzenesulfonyl]-piperazine-1-carboxylic acid amide
CID 136056126

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 157290195) is 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC(=O)N5CCCCC5)CC4)ccc3OCC)nn12.CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCN5CCOCC5)CC4)ccc3OCC)nc12.
What is the InChIKey of 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is BASBYZXDJMRROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N7O5S.C27H39N7O5S/c1-4-9-24-29-20(3)26-28(37)30-27(31-35(24)26)22-18-21(10-11-23(22)40-5-2)41(38,39)34-16-14-32(15-17-34)19-25(36)33-12-7-6-8-13-33;1-4-6-22-24-25(31(3)30-22)27(35)29-26(28-24)21-19-20(7-8-23(21)39-5-2)40(36,37)34-13-11-32(12-14-34)9-10-33-15-17-38-18-16-33/h10-11,18H,4-9,12-17,19H2,1-3H3,(H,30,31,37);7-8,19H,4-6,9-18H2,1-3H3,(H,28,29,35).
What are the key properties of 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 1159.45 g/mol, XLogP of 3.38, 19 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-5-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-[2-ethoxy-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 157290195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).