N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

C14H21Cl2N5O — CID 119575921

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1[nH]nc2ncc(C(=O)NC(C)(CN)C3CC3)cc12.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-8-11-5-9(6-16-12(11)19-18-8)13(20)17-14(2,7-15)10-3-4-10;;/h5-6,10H,3-4,7,15H2,1-2H3,(H,17,20)(H,16,18,19);2*1H
InChIKeyZKIWULVWFSTRFX-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.97
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 119575921) has the molecular formula C14H21Cl2N5O and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID119575921
Molecular FormulaC14H21Cl2N5O
Molecular Weight346.26 g/mol
Exact Mass345.11
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1[nH]nc2ncc(C(=O)NC(C)(CN)C3CC3)cc12.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-8-11-5-9(6-16-12(11)19-18-8)13(20)17-14(2,7-15)10-3-4-10;;/h5-6,10H,3-4,7,15H2,1-2H3,(H,17,20)(H,16,18,19);2*1H
InChIKeyZKIWULVWFSTRFX-UHFFFAOYSA-N
XLogP1.97
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride with MolForge

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Related Compounds

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CID 81486871
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
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N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
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N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide
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N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119429140
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119634595
3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 120830779
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (CID 119575921) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is Cc1[nH]nc2ncc(C(=O)NC(C)(CN)C3CC3)cc12.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is ZKIWULVWFSTRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.2ClH/c1-8-11-5-9(6-16-12(11)19-18-8)13(20)17-14(2,7-15)10-3-4-10;;/h5-6,10H,3-4,7,15H2,1-2H3,(H,17,20)(H,16,18,19);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119575921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).