3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one

C23H29N3O2 — CID 118073240

IUPAC3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
SMILESCC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2nccc(C3CC3)c12
InChIInChI=1S/C23H29N3O2/c1-13(19-12-25-22-21(19)18(4-5-24-22)15-2-3-15)6-20(27)26-16-7-14-8-17(26)11-23(28,9-14)10-16/h4-5,12-17,28H,2-3,6-11H2,1H3,(H,24,25)
InChIKeySUGXLGNWUJINGS-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.84
Rot. Bonds4

About 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one

3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (PubChem CID 118073240) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.

Molecular Properties

Compound Name3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
PubChem CID118073240
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
SMILESCC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2nccc(C3CC3)c12
InChIInChI=1S/C23H29N3O2/c1-13(19-12-25-22-21(19)18(4-5-24-22)15-2-3-15)6-20(27)26-16-7-14-8-17(26)11-23(28,9-14)10-16/h4-5,12-17,28H,2-3,6-11H2,1H3,(H,24,25)
InChIKeySUGXLGNWUJINGS-UHFFFAOYSA-N
XLogP3.84
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The IUPAC name of 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (CID 118073240) is 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.
What is the SMILES notation for 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The canonical SMILES for 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2nccc(C3CC3)c12.
What is the InChIKey of 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The InChIKey is SUGXLGNWUJINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-13(19-12-25-22-21(19)18(4-5-24-22)15-2-3-15)6-20(27)26-16-7-14-8-17(26)11-23(28,9-14)10-16/h4-5,12-17,28H,2-3,6-11H2,1H3,(H,24,25).
What are the key properties of 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one has a molecular weight of 379.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is sourced from PubChem (CID 118073240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).