4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

C20H15F6N5O2 — CID 88573833

IUPAC4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(-c2cncc(OCC(F)(F)F)c2)nc2c1C(=O)N(c1cn(CC(F)(F)F)cn1)C2
InChIInChI=1S/C20H15F6N5O2/c1-11-2-14(12-3-13(5-27-4-12)33-9-20(24,25)26)29-15-6-31(18(32)17(11)15)16-7-30(10-28-16)8-19(21,22)23/h2-5,7,10H,6,8-9H2,1H3
InChIKeyVEURDDZDFLKPAE-UHFFFAOYSA-N
MW471.36 g/mol
LogP4.31
Rot. Bonds5

About 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 88573833) has the molecular formula C20H15F6N5O2 and a molecular weight of 471.36 g/mol. Its IUPAC name is 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID88573833
Molecular FormulaC20H15F6N5O2
Molecular Weight471.36 g/mol
Exact Mass471.11
IUPAC Name4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(-c2cncc(OCC(F)(F)F)c2)nc2c1C(=O)N(c1cn(CC(F)(F)F)cn1)C2
InChIInChI=1S/C20H15F6N5O2/c1-11-2-14(12-3-13(5-27-4-12)33-9-20(24,25)26)29-15-6-31(18(32)17(11)15)16-7-30(10-28-16)8-19(21,22)23/h2-5,7,10H,6,8-9H2,1H3
InChIKeyVEURDDZDFLKPAE-UHFFFAOYSA-N
XLogP4.31
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

7-methyl-5-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
CID 88573839
4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 77449394
2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 88570873
(3S,4R)-3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4,4'-dimethyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 134423807
3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4,4'-dimethyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 123718641
3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine
CID 162401320
2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-diol
CID 137119279
4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563483
2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995238
bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one);2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158229460
4-(azetidin-1-yl)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327318
6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769781

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 88573833) is 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1cc(-c2cncc(OCC(F)(F)F)c2)nc2c1C(=O)N(c1cn(CC(F)(F)F)cn1)C2.
What is the InChIKey of 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is VEURDDZDFLKPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N5O2/c1-11-2-14(12-3-13(5-27-4-12)33-9-20(24,25)26)29-15-6-31(18(32)17(11)15)16-7-30(10-28-16)8-19(21,22)23/h2-5,7,10H,6,8-9H2,1H3.
What are the key properties of 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 471.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 88573833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).