6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride

C15H23Cl2N5O — CID 119449550

IUPAC6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC2CCNC2)c2cnn(C(C)C)c2n1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-9(2)20-14-13(8-17-20)12(6-10(3)18-14)15(21)19-11-4-5-16-7-11;;/h6,8-9,11,16H,4-5,7H2,1-3H3,(H,19,21);2*1H
InChIKeyHOUDIRHBEYHRAE-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.26
Rot. Bonds3

About 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride

6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119449550) has the molecular formula C15H23Cl2N5O and a molecular weight of 360.29 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119449550
Molecular FormulaC15H23Cl2N5O
Molecular Weight360.29 g/mol
Exact Mass359.13
IUPAC Name6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC2CCNC2)c2cnn(C(C)C)c2n1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-9(2)20-14-13(8-17-20)12(6-10(3)18-14)15(21)19-11-4-5-16-7-11;;/h6,8-9,11,16H,4-5,7H2,1-3H3,(H,19,21);2*1H
InChIKeyHOUDIRHBEYHRAE-UHFFFAOYSA-N
XLogP2.26
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119449551
6-methyl-N-(2-methylpiperidin-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 120600467
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119453480
6-phenyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119452068
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45490949
6-methyl-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119555058
N-[(1R,2R)-2-hydroxycyclohexyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 97003571
6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78858933
6-(2-methylphenyl)-N-piperidin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119389505
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 120533016
N,6-dimethyl-N-piperidin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119441231
6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119529873

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119449550) is 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is Cc1cc(C(=O)NC2CCNC2)c2cnn(C(C)C)c2n1.Cl.Cl.
What is the InChIKey of 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is HOUDIRHBEYHRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2ClH/c1-9(2)20-14-13(8-17-20)12(6-10(3)18-14)15(21)19-11-4-5-16-7-11;;/h6,8-9,11,16H,4-5,7H2,1-3H3,(H,19,21);2*1H.
What are the key properties of 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119449550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).