1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one

C15H22N6O — CID 35757436

IUPAC1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1nn(C)c2c(N3CCN(C(=O)C(C)C)CC3)ncnc12
InChIInChI=1S/C15H22N6O/c1-10(2)15(22)21-7-5-20(6-8-21)14-13-12(16-9-17-14)11(3)18-19(13)4/h9-10H,5-8H2,1-4H3
InChIKeyUIYUWOFXBSEVMT-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.98
Rot. Bonds2

About 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 35757436) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID35757436
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1nn(C)c2c(N3CCN(C(=O)C(C)C)CC3)ncnc12
InChIInChI=1S/C15H22N6O/c1-10(2)15(22)21-7-5-20(6-8-21)14-13-12(16-9-17-14)11(3)18-19(13)4/h9-10H,5-8H2,1-4H3
InChIKeyUIYUWOFXBSEVMT-UHFFFAOYSA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 35757393
4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide
CID 35757392
N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 35757406
[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35757404
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 35758439
[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 35757428
6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
CID 35757176
[4-(1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 35757596
2-methyl-1-[4-(3-methylimidazol-4-yl)piperazin-1-yl]propan-1-one
CID 176811378
1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 35756851
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 119840120
2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one
CID 176811311

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one (CID 35757436) is 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one is Cc1nn(C)c2c(N3CCN(C(=O)C(C)C)CC3)ncnc12.
What is the InChIKey of 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is UIYUWOFXBSEVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10(2)15(22)21-7-5-20(6-8-21)14-13-12(16-9-17-14)11(3)18-19(13)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 302.38 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 35757436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).