6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid

C15H15F3N4O3 — CID 23582383

IUPAC6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
SMILESNCC1Cc2[nH]c(-c3ccncc3)cc2C(=O)N1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H14N4O.C2HF3O2/c14-7-9-5-12-10(13(18)16-9)6-11(17-12)8-1-3-15-4-2-8;3-2(4,5)1(6)7/h1-4,6,9,17H,5,7,14H2,(H,16,18);(H,6,7)
InChIKeyUEISJDUYFMBMQD-UHFFFAOYSA-N
MW356.30 g/mol
LogP1.32
Rot. Bonds2

About 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid

6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 23582383) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
PubChem CID23582383
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
SMILESNCC1Cc2[nH]c(-c3ccncc3)cc2C(=O)N1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H14N4O.C2HF3O2/c14-7-9-5-12-10(13(18)16-9)6-11(17-12)8-1-3-15-4-2-8;3-2(4,5)1(6)7/h1-4,6,9,17H,5,7,14H2,(H,16,18);(H,6,7)
InChIKeyUEISJDUYFMBMQD-UHFFFAOYSA-N
XLogP1.32
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
(3Z)-5-fluoro-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indol-2-one
CID 5331099
Pyrrolopyridine, 35
CID 10007353
Pyrrolopyridine, 33
CID 10453611
2-(pyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11149391
2-(2-Amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
CID 11300082
7-ethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11380404
2-(2-aminopyrimidin-4-yl)-6-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11425051
3-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11514482
2-(3-Fluoropyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 11630374
7,7-dimethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11630500

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid (CID 23582383) is 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid is NCC1Cc2[nH]c(-c3ccncc3)cc2C(=O)N1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is UEISJDUYFMBMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O.C2HF3O2/c14-7-9-5-12-10(13(18)16-9)6-11(17-12)8-1-3-15-4-2-8;3-2(4,5)1(6)7/h1-4,6,9,17H,5,7,14H2,(H,16,18);(H,6,7).
What are the key properties of 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 356.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23582383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).