cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone

C23H24N4O — CID 167015527

IUPACcyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESO=C(c1cnc2c(ccn2-c2ccc3[nH]ncc3c2)c1)C1CCCCCCC1
InChIInChI=1S/C23H24N4O/c28-22(16-6-4-2-1-3-5-7-16)19-12-17-10-11-27(23(17)24-14-19)20-8-9-21-18(13-20)15-25-26-21/h8-16H,1-7H2,(H,25,26)
InChIKeyRJIDBGYMQWDXJX-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.45
Rot. Bonds3

About cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone

cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 167015527) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID167015527
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Namecyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESO=C(c1cnc2c(ccn2-c2ccc3[nH]ncc3c2)c1)C1CCCCCCC1
InChIInChI=1S/C23H24N4O/c28-22(16-6-4-2-1-3-5-7-16)19-12-17-10-11-27(23(17)24-14-19)20-8-9-21-18(13-20)15-25-26-21/h8-16H,1-7H2,(H,25,26)
InChIKeyRJIDBGYMQWDXJX-UHFFFAOYSA-N
XLogP5.45
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone?
The IUPAC name of cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 167015527) is cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone.
What is the SMILES notation for cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone?
The canonical SMILES for cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone is O=C(c1cnc2c(ccn2-c2ccc3[nH]ncc3c2)c1)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is RJIDBGYMQWDXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-22(16-6-4-2-1-3-5-7-16)19-12-17-10-11-27(23(17)24-14-19)20-8-9-21-18(13-20)15-25-26-21/h8-16H,1-7H2,(H,25,26).
What are the key properties of cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone?
cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 167015527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).