3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

C13H19Cl2N5O — CID 119429139

IUPAC3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1[nH]nc2ncc(C(=O)NC3CCCNC3)cc12.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-8-11-5-9(6-15-12(11)18-17-8)13(19)16-10-3-2-4-14-7-10;;/h5-6,10,14H,2-4,7H2,1H3,(H,16,19)(H,15,17,18);2*1H
InChIKeyHIYGAGUGGJQJER-UHFFFAOYSA-N
MW332.24 g/mol
LogP1.59
Rot. Bonds2

About 3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 119429139) has the molecular formula C13H19Cl2N5O and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID119429139
Molecular FormulaC13H19Cl2N5O
Molecular Weight332.24 g/mol
Exact Mass331.10
IUPAC Name3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1[nH]nc2ncc(C(=O)NC3CCCNC3)cc12.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-8-11-5-9(6-15-12(11)18-17-8)13(19)16-10-3-2-4-14-7-10;;/h5-6,10,14H,2-4,7H2,1H3,(H,16,19)(H,15,17,18);2*1H
InChIKeyHIYGAGUGGJQJER-UHFFFAOYSA-N
XLogP1.59
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119429140
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 47910272
3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119041844
N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166379175
3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119449154
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119575921
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356
N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 47789841
N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119568411

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (CID 119429139) is 3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is Cc1[nH]nc2ncc(C(=O)NC3CCCNC3)cc12.Cl.Cl.
What is the InChIKey of 3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is HIYGAGUGGJQJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.2ClH/c1-8-11-5-9(6-15-12(11)18-17-8)13(19)16-10-3-2-4-14-7-10;;/h5-6,10,14H,2-4,7H2,1H3,(H,16,19)(H,15,17,18);2*1H.
What are the key properties of 3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 332.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119429139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).