2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol

C16H21N7O — CID 99793887

IUPAC2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCn1ncc2c(N3CCC(c4ccnn4CCO)CC3)ncnc21
InChIInChI=1S/C16H21N7O/c1-21-15-13(10-20-21)16(18-11-17-15)22-6-3-12(4-7-22)14-2-5-19-23(14)8-9-24/h2,5,10-12,24H,3-4,6-9H2,1H3
InChIKeyFPALWGJWBYJAGH-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.94
Rot. Bonds4

About 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 99793887) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID99793887
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCn1ncc2c(N3CCC(c4ccnn4CCO)CC3)ncnc21
InChIInChI=1S/C16H21N7O/c1-21-15-13(10-20-21)16(18-11-17-15)22-6-3-12(4-7-22)14-2-5-19-23(14)8-9-24/h2,5,10-12,24H,3-4,6-9H2,1H3
InChIKeyFPALWGJWBYJAGH-UHFFFAOYSA-N
XLogP0.94
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393
1-methyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 126874144
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine
CID 62593364
4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514
4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
CID 107407344
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 48933564
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 31271704

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol (CID 99793887) is 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol is Cn1ncc2c(N3CCC(c4ccnn4CCO)CC3)ncnc21.
What is the InChIKey of 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is FPALWGJWBYJAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-21-15-13(10-20-21)16(18-11-17-15)22-6-3-12(4-7-22)14-2-5-19-23(14)8-9-24/h2,5,10-12,24H,3-4,6-9H2,1H3.
What are the key properties of 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 327.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 99793887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).