(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

C25H23F3N4O2 — CID 163441683

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESO=C(c1cc2c(cn1)c(C1=CCc3ccccc31)nn2CC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C25H23F3N4O2/c26-25(27,28)13-31-22-11-21(24(34)32-15-6-7-16(32)10-17(33)9-15)29-12-20(22)23(30-31)19-8-5-14-3-1-2-4-18(14)19/h1-4,8,11-12,15-17,33H,5-7,9-10,13H2
InChIKeyAZCJLSFEUCTIGQ-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.11
Rot. Bonds3

About (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (PubChem CID 163441683) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
PubChem CID163441683
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESO=C(c1cc2c(cn1)c(C1=CCc3ccccc31)nn2CC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C25H23F3N4O2/c26-25(27,28)13-31-22-11-21(24(34)32-15-6-7-16(32)10-17(33)9-15)29-12-20(22)23(30-31)19-8-5-14-3-1-2-4-18(14)19/h1-4,8,11-12,15-17,33H,5-7,9-10,13H2
InChIKeyAZCJLSFEUCTIGQ-UHFFFAOYSA-N
XLogP4.11
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (CID 163441683) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is O=C(c1cc2c(cn1)c(C1=CCc3ccccc31)nn2CC(F)(F)F)N1C2CCC1CC(O)C2.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The InChIKey is AZCJLSFEUCTIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c26-25(27,28)13-31-22-11-21(24(34)32-15-6-7-16(32)10-17(33)9-15)29-12-20(22)23(30-31)19-8-5-14-3-1-2-4-18(14)19/h1-4,8,11-12,15-17,33H,5-7,9-10,13H2.
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone has a molecular weight of 468.48 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is sourced from PubChem (CID 163441683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).