[1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol

C16H24N4O — CID 115358637

IUPAC[1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol
SMILESCc1nn(C)c2ncc(CNCC3(CO)CCCC3)cc12
InChIInChI=1S/C16H24N4O/c1-12-14-7-13(9-18-15(14)20(2)19-12)8-17-10-16(11-21)5-3-4-6-16/h7,9,17,21H,3-6,8,10-11H2,1-2H3
InChIKeyDKOVGRHWEQSWPB-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.92
Rot. Bonds5

About [1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol

[1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 115358637) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol
PubChem CID115358637
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol
SMILESCc1nn(C)c2ncc(CNCC3(CO)CCCC3)cc12
InChIInChI=1S/C16H24N4O/c1-12-14-7-13(9-18-15(14)20(2)19-12)8-17-10-16(11-21)5-3-4-6-16/h7,9,17,21H,3-6,8,10-11H2,1-2H3
InChIKeyDKOVGRHWEQSWPB-UHFFFAOYSA-N
XLogP1.92
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991547
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765733
4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
CID 115603275
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63032802
2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
CID 115614760
2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 60975729
[1-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358694
1-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 63772239
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol
CID 63771382
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol
CID 124550232

Frequently Asked Questions

What is the IUPAC name of [1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol (CID 115358637) is [1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol is Cc1nn(C)c2ncc(CNCC3(CO)CCCC3)cc12.
What is the InChIKey of [1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is DKOVGRHWEQSWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-14-7-13(9-18-15(14)20(2)19-12)8-17-10-16(11-21)5-3-4-6-16/h7,9,17,21H,3-6,8,10-11H2,1-2H3.
What are the key properties of [1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol?
[1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 288.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).