1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one

C20H26N6O3S — CID 66922472

IUPAC1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)n(S(=O)(=O)N3CCNCC3C)c(-c3ccccc3)nc12
InChIInChI=1S/C20H26N6O3S/c1-4-8-16-17-18(24(3)23-16)20(27)26(19(22-17)15-9-6-5-7-10-15)30(28,29)25-12-11-21-13-14(25)2/h5-7,9-10,14,21H,4,8,11-13H2,1-3H3
InChIKeyTURNHBRZAXVRIT-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.14
Rot. Bonds5

About 1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one

1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 66922472) has the molecular formula C20H26N6O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID66922472
Molecular FormulaC20H26N6O3S
Molecular Weight430.53 g/mol
Exact Mass430.18
IUPAC Name1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)n(S(=O)(=O)N3CCNCC3C)c(-c3ccccc3)nc12
InChIInChI=1S/C20H26N6O3S/c1-4-8-16-17-18(24(3)23-16)20(27)26(19(22-17)15-9-6-5-7-10-15)30(28,29)25-12-11-21-13-14(25)2/h5-7,9-10,14,21H,4,8,11-13H2,1-3H3
InChIKeyTURNHBRZAXVRIT-UHFFFAOYSA-N
XLogP1.14
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-methyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
CID 82755485
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CID 62673138
(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride
CID 120717041
2-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperazine
CID 104710234
2-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 119969655
4-[(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)methyl]benzenesulfonyl chloride
CID 135815255
7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 11581315
6-(3-bromopropyl)-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 68809723
1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969883
(2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120717155
2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole
CID 71639600
2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137078251

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one (CID 66922472) is 1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)n(S(=O)(=O)N3CCNCC3C)c(-c3ccccc3)nc12.
What is the InChIKey of 1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is TURNHBRZAXVRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3S/c1-4-8-16-17-18(24(3)23-16)20(27)26(19(22-17)15-9-6-5-7-10-15)30(28,29)25-12-11-21-13-14(25)2/h5-7,9-10,14,21H,4,8,11-13H2,1-3H3.
What are the key properties of 1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 430.53 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-methylpiperazin-1-yl)sulfonyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66922472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).