N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H22N4OS — CID 166211140

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3CC4CCC3C4)c12
InChIInChI=1S/C20H22N4OS/c1-11-18-14(20(25)22-15-9-12-5-6-13(15)8-12)10-16(17-4-3-7-26-17)21-19(18)24(2)23-11/h3-4,7,10,12-13,15H,5-6,8-9H2,1-2H3,(H,22,25)
InChIKeyQVXABVKVNRFHBN-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.92
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166211140) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166211140
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3CC4CCC3C4)c12
InChIInChI=1S/C20H22N4OS/c1-11-18-14(20(25)22-15-9-12-5-6-13(15)8-12)10-16(17-4-3-7-26-17)21-19(18)24(2)23-11/h3-4,7,10,12-13,15H,5-6,8-9H2,1-2H3,(H,22,25)
InChIKeyQVXABVKVNRFHBN-UHFFFAOYSA-N
XLogP3.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119603149
N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166179880
1,3-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60616772
N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42879190
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119512509
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110001025
1,3-dimethyl-N-[3-(methylamino)propyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119432081
N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111428920
1,3-dimethyl-N-[(3-methylphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55558498
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119348272
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111758269

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 166211140) is N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3CC4CCC3C4)c12.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QVXABVKVNRFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-11-18-14(20(25)22-15-9-12-5-6-13(15)8-12)10-16(17-4-3-7-26-17)21-19(18)24(2)23-11/h3-4,7,10,12-13,15H,5-6,8-9H2,1-2H3,(H,22,25).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166211140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).