1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide

C21H24N4O — CID 42937313

IUPAC1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC(C)c3ccc4c(c3)CCCC4)cc12
InChIInChI=1S/C21H24N4O/c1-13(16-9-8-15-6-4-5-7-17(15)10-16)23-21(26)18-11-19-14(2)24-25(3)20(19)22-12-18/h8-13H,4-7H2,1-3H3,(H,23,26)
InChIKeyZYAZONVEDJPWEE-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.65
Rot. Bonds3

About 1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 42937313) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID42937313
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC(C)c3ccc4c(c3)CCCC4)cc12
InChIInChI=1S/C21H24N4O/c1-13(16-9-8-15-6-4-5-7-17(15)10-16)23-21(26)18-11-19-14(2)24-25(3)20(19)22-12-18/h8-13H,4-7H2,1-3H3,(H,23,26)
InChIKeyZYAZONVEDJPWEE-UHFFFAOYSA-N
XLogP3.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 79246411
1,3-dimethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 35251975
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 74247232
N-(1-hydroxybutan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43417939
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoic acid
CID 120520882
5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide
CID 124620606
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide
CID 30013789
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 107564561

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 42937313) is 1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NC(C)c3ccc4c(c3)CCCC4)cc12.
What is the InChIKey of 1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ZYAZONVEDJPWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13(16-9-8-15-6-4-5-7-17(15)10-16)23-21(26)18-11-19-14(2)24-25(3)20(19)22-12-18/h8-13H,4-7H2,1-3H3,(H,23,26).
What are the key properties of 1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 42937313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).