4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

C16H24N6 — CID 91755584

IUPAC4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine
SMILESCC1CCCN(c2ncnc3c2cnn3C2CCNCC2)C1
InChIInChI=1S/C16H24N6/c1-12-3-2-8-21(10-12)15-14-9-20-22(16(14)19-11-18-15)13-4-6-17-7-5-13/h9,11-13,17H,2-8,10H2,1H3
InChIKeyNUBSVEOLOFEHCB-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.99
Rot. Bonds2

About 4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 91755584) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine
PubChem CID91755584
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine
SMILESCC1CCCN(c2ncnc3c2cnn3C2CCNCC2)C1
InChIInChI=1S/C16H24N6/c1-12-3-2-8-21(10-12)15-14-9-20-22(16(14)19-11-18-15)13-4-6-17-7-5-13/h9,11-13,17H,2-8,10H2,1H3
InChIKeyNUBSVEOLOFEHCB-UHFFFAOYSA-N
XLogP1.99
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 124679286
1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 141114356
1-(2,5-dimethylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 26841838
1-(3-chlorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 29105838
9-cyclopropyl-6-(3-methylpiperidin-1-yl)purine
CID 163354022
1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
CID 86808998
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-cyclopentyl-4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123979175
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine (CID 91755584) is 4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine is CC1CCCN(c2ncnc3c2cnn3C2CCNCC2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is NUBSVEOLOFEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-12-3-2-8-21(10-12)15-14-9-20-22(16(14)19-11-18-15)13-4-6-17-7-5-13/h9,11-13,17H,2-8,10H2,1H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine?
4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 300.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 91755584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).