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

C15H25Cl2N5O — CID 119504676

IUPACN-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCCNCCNC(=O)c1cc(C)nc2c1cnn2C(C)C.Cl.Cl
InChIInChI=1S/C15H23N5O.2ClH/c1-5-16-6-7-17-15(21)12-8-11(4)19-14-13(12)9-18-20(14)10(2)3;;/h8-10,16H,5-7H2,1-4H3,(H,17,21);2*1H
InChIKeyKOLYYIGUAJKWTK-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.50
Rot. Bonds6

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

N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119504676) has the molecular formula C15H25Cl2N5O and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119504676
Molecular FormulaC15H25Cl2N5O
Molecular Weight362.31 g/mol
Exact Mass361.14
IUPAC NameN-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCCNCCNC(=O)c1cc(C)nc2c1cnn2C(C)C.Cl.Cl
InChIInChI=1S/C15H23N5O.2ClH/c1-5-16-6-7-17-15(21)12-8-11(4)19-14-13(12)9-18-20(14)10(2)3;;/h8-10,16H,5-7H2,1-4H3,(H,17,21);2*1H
InChIKeyKOLYYIGUAJKWTK-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-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119508664
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292
8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid
CID 120535674
N-(2-amino-2-ethylbutyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119639741
6-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 100616519
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120513011
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120523353
N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111333170
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
6-methyl-1-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78875855

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119504676) is N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is CCNCCNC(=O)c1cc(C)nc2c1cnn2C(C)C.Cl.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is KOLYYIGUAJKWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.2ClH/c1-5-16-6-7-17-15(21)12-8-11(4)19-14-13(12)9-18-20(14)10(2)3;;/h8-10,16H,5-7H2,1-4H3,(H,17,21);2*1H.
What are the key properties of N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-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 N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119504676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).