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

C20H15F6N5O2 — CID 137071347

IUPAC4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCc1cc(-c2cncc(OCC(F)(F)F)c2)nc2cn(-c3cn(CC(F)(F)F)cn3)c(O)c12
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/h2-7,10,32H,8-9H2,1H3
InChIKeyNAUXXMQSUDTCFU-UHFFFAOYSA-N
MW471.36 g/mol
LogP4.80
Rot. Bonds5

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

4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137071347) 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]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137071347
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]pyrrolo[3,4-b]pyridin-5-ol
SMILESCc1cc(-c2cncc(OCC(F)(F)F)c2)nc2cn(-c3cn(CC(F)(F)F)cn3)c(O)c12
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/h2-7,10,32H,8-9H2,1H3
InChIKeyNAUXXMQSUDTCFU-UHFFFAOYSA-N
XLogP4.80
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (CID 137071347) is 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.
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]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is Cc1cc(-c2cncc(OCC(F)(F)F)c2)nc2cn(-c3cn(CC(F)(F)F)cn3)c(O)c12.
What is the InChIKey of 4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is NAUXXMQSUDTCFU-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/h2-7,10,32H,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]pyrrolo[3,4-b]pyridin-5-ol?
4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 471.36 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137071347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).