[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

C20H27F3N6O4 — CID 155860857

IUPAC[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3ncn(C)c3C(C(=O)N3CCOCC3)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N6O2.C2HF3O2/c1-13-8-14(22(3)20-13)9-23-10-15(17-16(11-23)19-12-21(17)2)18(25)24-4-6-26-7-5-24;3-2(4,5)1(6)7/h8,12,15H,4-7,9-11H2,1-3H3;(H,6,7)
InChIKeyBXWSNEPUKGBWRM-UHFFFAOYSA-N
MW472.47 g/mol
LogP1.05
Rot. Bonds3

About [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155860857) has the molecular formula C20H27F3N6O4 and a molecular weight of 472.47 g/mol. Its IUPAC name is [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155860857
Molecular FormulaC20H27F3N6O4
Molecular Weight472.47 g/mol
Exact Mass472.20
IUPAC Name[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3ncn(C)c3C(C(=O)N3CCOCC3)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N6O2.C2HF3O2/c1-13-8-14(22(3)20-13)9-23-10-15(17-16(11-23)19-12-21(17)2)18(25)24-4-6-26-7-5-24;3-2(4,5)1(6)7/h8,12,15H,4-7,9-11H2,1-3H3;(H,6,7)
InChIKeyBXWSNEPUKGBWRM-UHFFFAOYSA-N
XLogP1.05
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 155860857) is [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is Cc1cc(CN2Cc3ncn(C)c3C(C(=O)N3CCOCC3)C2)n(C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is BXWSNEPUKGBWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2.C2HF3O2/c1-13-8-14(22(3)20-13)9-23-10-15(17-16(11-23)19-12-21(17)2)18(25)24-4-6-26-7-5-24;3-2(4,5)1(6)7/h8,12,15H,4-7,9-11H2,1-3H3;(H,6,7).
What are the key properties of [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 472.47 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).