5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine

C23H24N6 — CID 170351888

IUPAC5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine
SMILESCC(C)(C)C#Cc1cc(-c2ccnc3nc(C4CCC4)[nH]c23)cc2c(N)n[nH]c12
InChIInChI=1S/C23H24N6/c1-23(2,3)9-7-14-11-15(12-17-18(14)28-29-20(17)24)16-8-10-25-22-19(16)26-21(27-22)13-5-4-6-13/h8,10-13H,4-6H2,1-3H3,(H3,24,28,29)(H,25,26,27)
InChIKeyMUEGHDAQMUQBMA-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.75
Rot. Bonds2

About 5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine

5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine (PubChem CID 170351888) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine
PubChem CID170351888
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine
SMILESCC(C)(C)C#Cc1cc(-c2ccnc3nc(C4CCC4)[nH]c23)cc2c(N)n[nH]c12
InChIInChI=1S/C23H24N6/c1-23(2,3)9-7-14-11-15(12-17-18(14)28-29-20(17)24)16-8-10-25-22-19(16)26-21(27-22)13-5-4-6-13/h8,10-13H,4-6H2,1-3H3,(H3,24,28,29)(H,25,26,27)
InChIKeyMUEGHDAQMUQBMA-UHFFFAOYSA-N
XLogP4.75
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine?
The IUPAC name of 5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine (CID 170351888) is 5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine?
The canonical SMILES for 5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine is CC(C)(C)C#Cc1cc(-c2ccnc3nc(C4CCC4)[nH]c23)cc2c(N)n[nH]c12.
What is the InChIKey of 5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine?
The InChIKey is MUEGHDAQMUQBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-23(2,3)9-7-14-11-15(12-17-18(14)28-29-20(17)24)16-8-10-25-22-19(16)26-21(27-22)13-5-4-6-13/h8,10-13H,4-6H2,1-3H3,(H3,24,28,29)(H,25,26,27).
What are the key properties of 5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine?
5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine has a molecular weight of 384.49 g/mol, XLogP of 4.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine is sourced from PubChem (CID 170351888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).