(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone

C25H27F3N4O2 — CID 162487629

IUPAC(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1cc2ncc(N3CCOCC3)cc2[nH]1)N1CCC(c2ccccc2CC(F)(F)F)CC1
InChIInChI=1S/C25H27F3N4O2/c26-25(27,28)15-18-3-1-2-4-20(18)17-5-7-32(8-6-17)24(33)23-14-21-22(30-23)13-19(16-29-21)31-9-11-34-12-10-31/h1-4,13-14,16-17,30H,5-12,15H2
InChIKeyJOEKUYPPLURRJC-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.52
Rot. Bonds4

About (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone

(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 162487629) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
PubChem CID162487629
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC Name(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1cc2ncc(N3CCOCC3)cc2[nH]1)N1CCC(c2ccccc2CC(F)(F)F)CC1
InChIInChI=1S/C25H27F3N4O2/c26-25(27,28)15-18-3-1-2-4-20(18)17-5-7-32(8-6-17)24(33)23-14-21-22(30-23)13-19(16-29-21)31-9-11-34-12-10-31/h1-4,13-14,16-17,30H,5-12,15H2
InChIKeyJOEKUYPPLURRJC-UHFFFAOYSA-N
XLogP4.52
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone (CID 162487629) is (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone is O=C(c1cc2ncc(N3CCOCC3)cc2[nH]1)N1CCC(c2ccccc2CC(F)(F)F)CC1.
What is the InChIKey of (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is JOEKUYPPLURRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c26-25(27,28)15-18-3-1-2-4-20(18)17-5-7-32(8-6-17)24(33)23-14-21-22(30-23)13-19(16-29-21)31-9-11-34-12-10-31/h1-4,13-14,16-17,30H,5-12,15H2.
What are the key properties of (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone?
(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 472.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 162487629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).