6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid

C23H21F3N4O3 — CID 71148908

IUPAC6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid
SMILESCc1cnc(CCN2Cc3nccc(-c4ccncc4)c3C2=O)cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C21H20N4O.C2HF3O2/c1-14-11-17(24-12-15(14)2)6-10-25-13-19-20(21(25)26)18(5-9-23-19)16-3-7-22-8-4-16;3-2(4,5)1(6)7/h3-5,7-9,11-12H,6,10,13H2,1-2H3;(H,6,7)
InChIKeyMYUAVIQJEZZVNY-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.99
Rot. Bonds4

About 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid

6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid (PubChem CID 71148908) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid
PubChem CID71148908
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid
SMILESCc1cnc(CCN2Cc3nccc(-c4ccncc4)c3C2=O)cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C21H20N4O.C2HF3O2/c1-14-11-17(24-12-15(14)2)6-10-25-13-19-20(21(25)26)18(5-9-23-19)16-3-7-22-8-4-16;3-2(4,5)1(6)7/h3-5,7-9,11-12H,6,10,13H2,1-2H3;(H,6,7)
InChIKeyMYUAVIQJEZZVNY-UHFFFAOYSA-N
XLogP3.99
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 464036
CID 464036
CID 44398881
CID 44398881
CID 44452939
CID 44452939
CID 71460584
CID 71460584
CID 168284092
CID 168284092
CID 118282358
CID 118282358
CID 118282392
CID 118282392
CID 146012385
CID 146012385
CID 146012388
CID 146012388
CID 146012389
CID 146012389
CID 146012397
CID 146012397
CID 146012401
CID 146012401

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid (CID 71148908) is 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid is Cc1cnc(CCN2Cc3nccc(-c4ccncc4)c3C2=O)cc1C.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid?
The InChIKey is MYUAVIQJEZZVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O.C2HF3O2/c1-14-11-17(24-12-15(14)2)6-10-25-13-19-20(21(25)26)18(5-9-23-19)16-3-7-22-8-4-16;3-2(4,5)1(6)7/h3-5,7-9,11-12H,6,10,13H2,1-2H3;(H,6,7).
What are the key properties of 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid?
6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid has a molecular weight of 458.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4,5-dimethyl-2-pyridinyl)ethyl]-4-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71148908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).