[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride

C16H25Cl2N7O — CID 119840107

IUPAC[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.Cn1ncc2c(N3CCN(C(=O)C4CCCCN4)CC3)ncnc21
InChIInChI=1S/C16H23N7O.2ClH/c1-21-14-12(10-20-21)15(19-11-18-14)22-6-8-23(9-7-22)16(24)13-4-2-3-5-17-13;;/h10-11,13,17H,2-9H2,1H3;2*1H
InChIKeyJIHVSDQJPAZUIY-UHFFFAOYSA-N
MW402.33 g/mol
LogP1.00
Rot. Bonds2

About [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride

[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride (PubChem CID 119840107) has the molecular formula C16H25Cl2N7O and a molecular weight of 402.33 g/mol. Its IUPAC name is [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
PubChem CID119840107
Molecular FormulaC16H25Cl2N7O
Molecular Weight402.33 g/mol
Exact Mass401.15
IUPAC Name[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.Cn1ncc2c(N3CCN(C(=O)C4CCCCN4)CC3)ncnc21
InChIInChI=1S/C16H23N7O.2ClH/c1-21-14-12(10-20-21)15(19-11-18-14)22-6-8-23(9-7-22)16(24)13-4-2-3-5-17-13;;/h10-11,13,17H,2-9H2,1H3;2*1H
InChIKeyJIHVSDQJPAZUIY-UHFFFAOYSA-N
XLogP1.00
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminocyclohexyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119840109
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 119840120
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 32712917
(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 119840114
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358224
2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797541
(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 29327180
(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 31123711
[4-(1,3-dithian-2-yl)phenyl]-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 16589683
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride (CID 119840107) is [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride is Cl.Cl.Cn1ncc2c(N3CCN(C(=O)C4CCCCN4)CC3)ncnc21.
What is the InChIKey of [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The InChIKey is JIHVSDQJPAZUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O.2ClH/c1-21-14-12(10-20-21)15(19-11-18-14)22-6-8-23(9-7-22)16(24)13-4-2-3-5-17-13;;/h10-11,13,17H,2-9H2,1H3;2*1H.
What are the key properties of [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride has a molecular weight of 402.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119840107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).