2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C19H18F3N3O2 — CID 134809939

IUPAC2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN1Cc2c(cc(N3CCOCC3)nc2-c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H18F3N3O2/c1-24-11-15-14(18(24)26)10-16(25-5-7-27-8-6-25)23-17(15)12-3-2-4-13(9-12)19(20,21)22/h2-4,9-10H,5-8,11H2,1H3
InChIKeyDOWNFOMCVMDCSF-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.19
Rot. Bonds2

About 2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134809939) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134809939
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCN1Cc2c(cc(N3CCOCC3)nc2-c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H18F3N3O2/c1-24-11-15-14(18(24)26)10-16(25-5-7-27-8-6-25)23-17(15)12-3-2-4-13(9-12)19(20,21)22/h2-4,9-10H,5-8,11H2,1H3
InChIKeyDOWNFOMCVMDCSF-UHFFFAOYSA-N
XLogP3.19
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134809939) is 2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CN1Cc2c(cc(N3CCOCC3)nc2-c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is DOWNFOMCVMDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-24-11-15-14(18(24)26)10-16(25-5-7-27-8-6-25)23-17(15)12-3-2-4-13(9-12)19(20,21)22/h2-4,9-10H,5-8,11H2,1H3.
What are the key properties of 2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 377.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134809939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).