4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide

C24H19F4N3O3 — CID 163405364

IUPAC4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2Cc3c(ccnc3-c3ccc(F)cc3OCC(F)(F)F)C2=O)cc1
InChIInChI=1S/C24H19F4N3O3/c1-30(2)22(32)14-3-6-16(7-4-14)31-12-19-17(23(31)33)9-10-29-21(19)18-8-5-15(25)11-20(18)34-13-24(26,27)28/h3-11H,12-13H2,1-2H3
InChIKeyQVMAVQGRUXVAPD-UHFFFAOYSA-N
MW473.43 g/mol
LogP4.69
Rot. Bonds5

About 4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide

4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide (PubChem CID 163405364) has the molecular formula C24H19F4N3O3 and a molecular weight of 473.43 g/mol. Its IUPAC name is 4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide
PubChem CID163405364
Molecular FormulaC24H19F4N3O3
Molecular Weight473.43 g/mol
Exact Mass473.14
IUPAC Name4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2Cc3c(ccnc3-c3ccc(F)cc3OCC(F)(F)F)C2=O)cc1
InChIInChI=1S/C24H19F4N3O3/c1-30(2)22(32)14-3-6-16(7-4-14)31-12-19-17(23(31)33)9-10-29-21(19)18-8-5-15(25)11-20(18)34-13-24(26,27)28/h3-11H,12-13H2,1-2H3
InChIKeyQVMAVQGRUXVAPD-UHFFFAOYSA-N
XLogP4.69
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Glucosylceramide synthase-IN-1
CID 155595464
2-[4-(2-hydroxypropan-2-yl)phenyl]-6-(3-methyloxetan-3-yl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405483
N-(4-ethoxyphenyl)-3-oxo-2-(pyridin-3-ylmethyl)isoindoline-4-carboxamide
CID 3238619
3-oxo-2-(1-pyridin-2-ylpropan-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
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3-oxo-2-(2-pyridin-2-ylethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-isoindole-1-carboxamide
CID 44544444
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44544546
2-(2,2-difluoro-2-pyridin-2-ylethyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545053
7-methoxy-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545166
2-(2-methyl-1-pyridin-2-ylpropan-2-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545168
4-fluoro-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545402
Sodium Channel inhibitor 1
CID 44545403
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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide (CID 163405364) is 4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N2Cc3c(ccnc3-c3ccc(F)cc3OCC(F)(F)F)C2=O)cc1.
What is the InChIKey of 4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is QVMAVQGRUXVAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O3/c1-30(2)22(32)14-3-6-16(7-4-14)31-12-19-17(23(31)33)9-10-29-21(19)18-8-5-15(25)11-20(18)34-13-24(26,27)28/h3-11H,12-13H2,1-2H3.
What are the key properties of 4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide?
4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 473.43 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 163405364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).