3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

C12H19Cl2N5O — CID 120830779

IUPAC3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cnc2n[nH]c(C)c2c1.Cl.Cl
InChIInChI=1S/C12H17N5O.2ClH/c1-7(13-3)5-15-12(18)9-4-10-8(2)16-17-11(10)14-6-9;;/h4,6-7,13H,5H2,1-3H3,(H,15,18)(H,14,16,17);2*1H
InChIKeyRWAGUDCCTMLUHC-UHFFFAOYSA-N
MW320.22 g/mol
LogP1.45
Rot. Bonds4

About 3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 120830779) has the molecular formula C12H19Cl2N5O and a molecular weight of 320.22 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID120830779
Molecular FormulaC12H19Cl2N5O
Molecular Weight320.22 g/mol
Exact Mass319.10
IUPAC Name3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cnc2n[nH]c(C)c2c1.Cl.Cl
InChIInChI=1S/C12H17N5O.2ClH/c1-7(13-3)5-15-12(18)9-4-10-8(2)16-17-11(10)14-6-9;;/h4,6-7,13H,5H2,1-3H3,(H,15,18)(H,14,16,17);2*1H
InChIKeyRWAGUDCCTMLUHC-UHFFFAOYSA-N
XLogP1.45
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120654061
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 111565960
3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119449154
N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119668708
3,5-dimethoxy-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829740
N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119568411
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119575921
3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429139
N-[2-(methylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 120827526
3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119429140
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (CID 120830779) is 3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1cnc2n[nH]c(C)c2c1.Cl.Cl.
What is the InChIKey of 3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is RWAGUDCCTMLUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.2ClH/c1-7(13-3)5-15-12(18)9-4-10-8(2)16-17-11(10)14-6-9;;/h4,6-7,13H,5H2,1-3H3,(H,15,18)(H,14,16,17);2*1H.
What are the key properties of 3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 320.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120830779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).