[6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid

C20H19F3N4O4 — CID 155866633

IUPAC[6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1CC(CO)N(C(=O)c1ccc3ccccc3n1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18N4O2.C2HF3O2/c1-21-11-19-16-9-22(13(10-23)8-17(16)21)18(24)15-7-6-12-4-2-3-5-14(12)20-15;3-2(4,5)1(6)7/h2-7,11,13,23H,8-10H2,1H3;(H,6,7)
InChIKeyGINBVBHRMSBOFY-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.16
Rot. Bonds2

About [6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid

[6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155866633) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is [6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155866633
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC Name[6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1CC(CO)N(C(=O)c1ccc3ccccc3n1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18N4O2.C2HF3O2/c1-21-11-19-16-9-22(13(10-23)8-17(16)21)18(24)15-7-6-12-4-2-3-5-14(12)20-15;3-2(4,5)1(6)7/h2-7,11,13,23H,8-10H2,1H3;(H,6,7)
InChIKeyGINBVBHRMSBOFY-UHFFFAOYSA-N
XLogP2.16
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol;2,2,2-trifluoroacetic acid
CID 155866848
[6-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-4-ylmethanone
CID 131696078
[(4aS,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155848742
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842614
[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 171530362
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone
CID 122331673
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 63765568
1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155856612
5-(1,3-benzodioxol-5-ylmethyl)-6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155866769
2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
CID 131696067

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid (CID 155866633) is [6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid is Cn1cnc2c1CC(CO)N(C(=O)c1ccc3ccccc3n1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of [6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is GINBVBHRMSBOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C2HF3O2/c1-21-11-19-16-9-22(13(10-23)8-17(16)21)18(24)15-7-6-12-4-2-3-5-14(12)20-15;3-2(4,5)1(6)7/h2-7,11,13,23H,8-10H2,1H3;(H,6,7).
What are the key properties of [6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid?
[6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 436.39 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155866633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).