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

C15H25Cl2N5O — CID 120828292

IUPAC6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cc(C)nc2c1cnn2C(C)C.Cl.Cl
InChIInChI=1S/C15H23N5O.2ClH/c1-9(2)20-14-13(8-18-20)12(6-10(3)19-14)15(21)17-7-11(4)16-5;;/h6,8-9,11,16H,7H2,1-5H3,(H,17,21);2*1H
InChIKeyZBSXBYOZHZKJPM-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.50
Rot. Bonds5

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

6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120828292) has the molecular formula C15H25Cl2N5O and a molecular weight of 362.31 g/mol. Its IUPAC name is 6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID120828292
Molecular FormulaC15H25Cl2N5O
Molecular Weight362.31 g/mol
Exact Mass361.14
IUPAC Name6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cc(C)nc2c1cnn2C(C)C.Cl.Cl
InChIInChI=1S/C15H23N5O.2ClH/c1-9(2)20-14-13(8-18-20)12(6-10(3)19-14)15(21)17-7-11(4)16-5;;/h6,8-9,11,16H,7H2,1-5H3,(H,17,21);2*1H
InChIKeyZBSXBYOZHZKJPM-UHFFFAOYSA-N
XLogP2.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

1-butan-2-yl-6-methyl-N-[2-(methylamino)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120831658
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828270
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120828271
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119504676
N-(2-amino-2-ethylbutyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119639741
tert-butyl N-[3-methyl-1-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butan-2-yl]carbamate
CID 86956659
8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid
CID 120535674
N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111333170
6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 56714235
6-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 100616519
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 73386288

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (CID 120828292) is 6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1cc(C)nc2c1cnn2C(C)C.Cl.Cl.
What is the InChIKey of 6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is ZBSXBYOZHZKJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.2ClH/c1-9(2)20-14-13(8-18-20)12(6-10(3)19-14)15(21)17-7-11(4)16-5;;/h6,8-9,11,16H,7H2,1-5H3,(H,17,21);2*1H.
What are the key properties of 6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 362.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120828292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).