6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

C15H25Cl2N5O — CID 119429541

IUPAC6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1cc2cnn(C(C)C)c2nc1C.Cl.Cl
InChIInChI=1S/C15H23N5O.2ClH/c1-10(2)20-14-12(9-18-20)8-13(11(3)19-14)15(21)17-7-5-6-16-4;;/h8-10,16H,5-7H2,1-4H3,(H,17,21);2*1H
InChIKeyFRCCDSMMIGSOTA-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.50
Rot. Bonds6

About 6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 119429541) has the molecular formula C15H25Cl2N5O and a molecular weight of 362.31 g/mol. Its IUPAC name is 6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID119429541
Molecular FormulaC15H25Cl2N5O
Molecular Weight362.31 g/mol
Exact Mass361.14
IUPAC Name6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1cc2cnn(C(C)C)c2nc1C.Cl.Cl
InChIInChI=1S/C15H23N5O.2ClH/c1-10(2)20-14-12(9-18-20)8-13(11(3)19-14)15(21)17-7-5-6-16-4;;/h8-10,16H,5-7H2,1-4H3,(H,17,21);2*1H
InChIKeyFRCCDSMMIGSOTA-UHFFFAOYSA-N
XLogP2.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35805438
N-(2-amino-2-ethylbutyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119639735
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl]benzoic acid
CID 120512999
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24617983
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120604207
N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 43067938
6-methyl-1-propan-2-yl-N-(3-quinolin-8-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 56585762
6-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55645313
N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 111446542
6-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 35805236
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528856
6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 41413354

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of 6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (CID 119429541) is 6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for 6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is CNCCCNC(=O)c1cc2cnn(C(C)C)c2nc1C.Cl.Cl.
What is the InChIKey of 6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is FRCCDSMMIGSOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.2ClH/c1-10(2)20-14-12(9-18-20)8-13(11(3)19-14)15(21)17-7-5-6-16-4;;/h8-10,16H,5-7H2,1-4H3,(H,17,21);2*1H.
What are the key properties of 6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 362.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119429541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).