[3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C14H22ClN5 — CID 120780847

IUPAC[3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1[nH]nc2ncc(CN3CCC(C)(CN)C3)cc12.Cl
InChIInChI=1S/C14H21N5.ClH/c1-10-12-5-11(6-16-13(12)18-17-10)7-19-4-3-14(2,8-15)9-19;/h5-6H,3-4,7-9,15H2,1-2H3,(H,16,17,18);1H
InChIKeyHQLPLKIKCWLCMS-UHFFFAOYSA-N
MW295.82 g/mol
LogP1.86
Rot. Bonds3

About [3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780847) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is [3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780847
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name[3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1[nH]nc2ncc(CN3CCC(C)(CN)C3)cc12.Cl
InChIInChI=1S/C14H21N5.ClH/c1-10-12-5-11(6-16-13(12)18-17-10)7-19-4-3-14(2,8-15)9-19;/h5-6H,3-4,7-9,15H2,1-2H3,(H,16,17,18);1H
InChIKeyHQLPLKIKCWLCMS-UHFFFAOYSA-N
XLogP1.86
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780625
[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404
methyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2,6-dimethylphenoxy]acetate
CID 120780333
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772351
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780449
3-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826182
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
[1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781080
[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780920

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120780847) is [3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is Cc1[nH]nc2ncc(CN3CCC(C)(CN)C3)cc12.Cl.
What is the InChIKey of [3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is HQLPLKIKCWLCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5.ClH/c1-10-12-5-11(6-16-13(12)18-17-10)7-19-4-3-14(2,8-15)9-19;/h5-6H,3-4,7-9,15H2,1-2H3,(H,16,17,18);1H.
What are the key properties of [3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 295.82 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).