(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone

C15H18F3N3O2 — CID 167928509

IUPAC(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone
SMILESCOc1ccc2c(n1)N(C(=O)C1CCCN1CC(F)(F)F)CC2
InChIInChI=1S/C15H18F3N3O2/c1-23-12-5-4-10-6-8-21(13(10)19-12)14(22)11-3-2-7-20(11)9-15(16,17)18/h4-5,11H,2-3,6-9H2,1H3
InChIKeySXXGMJYDIIXQJM-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.01
Rot. Bonds3

About (6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone

(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone (PubChem CID 167928509) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is (6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone
PubChem CID167928509
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone
SMILESCOc1ccc2c(n1)N(C(=O)C1CCCN1CC(F)(F)F)CC2
InChIInChI=1S/C15H18F3N3O2/c1-23-12-5-4-10-6-8-21(13(10)19-12)14(22)11-3-2-7-20(11)9-15(16,17)18/h4-5,11H,2-3,6-9H2,1H3
InChIKeySXXGMJYDIIXQJM-UHFFFAOYSA-N
XLogP2.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone (CID 167928509) is (6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone is COc1ccc2c(n1)N(C(=O)C1CCCN1CC(F)(F)F)CC2.
What is the InChIKey of (6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone?
The InChIKey is SXXGMJYDIIXQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-23-12-5-4-10-6-8-21(13(10)19-12)14(22)11-3-2-7-20(11)9-15(16,17)18/h4-5,11H,2-3,6-9H2,1H3.
What are the key properties of (6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone?
(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone has a molecular weight of 329.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 167928509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).