1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride

C12H18Cl2N6 — CID 141114356

IUPAC1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1nc(N2CCNCC2)c2cnn(C3CC3)c2n1
InChIInChI=1S/C12H16N6.2ClH/c1-2-9(1)18-12-10(7-16-18)11(14-8-15-12)17-5-3-13-4-6-17;;/h7-9,13H,1-6H2;2*1H
InChIKeyJBNYKPPOKCBUTR-UHFFFAOYSA-N
MW317.22 g/mol
LogP1.41
Rot. Bonds2

About 1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride

1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride (PubChem CID 141114356) has the molecular formula C12H18Cl2N6 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
PubChem CID141114356
Molecular FormulaC12H18Cl2N6
Molecular Weight317.22 g/mol
Exact Mass316.10
IUPAC Name1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1nc(N2CCNCC2)c2cnn(C3CC3)c2n1
InChIInChI=1S/C12H16N6.2ClH/c1-2-9(1)18-12-10(7-16-18)11(14-8-15-12)17-5-3-13-4-6-17;;/h7-9,13H,1-6H2;2*1H
InChIKeyJBNYKPPOKCBUTR-UHFFFAOYSA-N
XLogP1.41
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine
CID 91755584
(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 124679286
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
4-(aziridin-1-yl)-1-[(2S)-oxan-2-yl]pyrazolo[5,4-d]pyrimidine
CID 3246173
1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 84818538
[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
CID 175935264
1-cyclopentyl-4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123979175
4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 141218948
[4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 141218895
2-(4-piperazin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)benzoic acid
CID 84818534
4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 37261653

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride?
The IUPAC name of 1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride (CID 141114356) is 1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride.
What is the SMILES notation for 1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride?
The canonical SMILES for 1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride is Cl.Cl.c1nc(N2CCNCC2)c2cnn(C3CC3)c2n1.
What is the InChIKey of 1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride?
The InChIKey is JBNYKPPOKCBUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6.2ClH/c1-2-9(1)18-12-10(7-16-18)11(14-8-15-12)17-5-3-13-4-6-17;;/h7-9,13H,1-6H2;2*1H.
What are the key properties of 1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride?
1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride has a molecular weight of 317.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 141114356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).