2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid

C22H21F3N6O2 — CID 71149935

IUPAC2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCn1nccc1-c1ccnc2c1CN(CCc1cn3ccccc3n1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20N6.C2HF3O2/c1-24-19(6-9-22-24)16-5-8-21-18-14-25(13-17(16)18)11-7-15-12-26-10-3-2-4-20(26)23-15;3-2(4,5)1(6)7/h2-6,8-10,12H,7,11,13-14H2,1H3;(H,6,7)
InChIKeyDOMBDLOTZPYAAT-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.32
Rot. Bonds4

About 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid

2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 71149935) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID71149935
Molecular FormulaC22H21F3N6O2
Molecular Weight458.44 g/mol
Exact Mass458.17
IUPAC Name2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCn1nccc1-c1ccnc2c1CN(CCc1cn3ccccc3n1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20N6.C2HF3O2/c1-24-19(6-9-22-24)16-5-8-21-18-14-25(13-17(16)18)11-7-15-12-26-10-3-2-4-20(26)23-15;3-2(4,5)1(6)7/h2-6,8-10,12H,7,11,13-14H2,1H3;(H,6,7)
InChIKeyDOMBDLOTZPYAAT-UHFFFAOYSA-N
XLogP3.32
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid (CID 71149935) is 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid is Cn1nccc1-c1ccnc2c1CN(CCc1cn3ccccc3n1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is DOMBDLOTZPYAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6.C2HF3O2/c1-24-19(6-9-22-24)16-5-8-21-18-14-25(13-17(16)18)11-7-15-12-26-10-3-2-4-20(26)23-15;3-2(4,5)1(6)7/h2-6,8-10,12H,7,11,13-14H2,1H3;(H,6,7).
What are the key properties of 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 458.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71149935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).