5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

C19H27F3N6O4 — CID 155844491

IUPAC5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1cc(CN2Cc3ncn(C)c3C(C(=O)NCCOC)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N6O2.C2HF3O2/c1-4-23-9-13(7-20-23)8-22-10-14(17(24)18-5-6-25-3)16-15(11-22)19-12-21(16)2;3-2(4,5)1(6)7/h7,9,12,14H,4-6,8,10-11H2,1-3H3,(H,18,24);(H,6,7)
InChIKeyHKJSAVOPVAWJOB-UHFFFAOYSA-N
MW460.46 g/mol
LogP1.13
Rot. Bonds7

About 5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155844491) has the molecular formula C19H27F3N6O4 and a molecular weight of 460.46 g/mol. Its IUPAC name is 5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155844491
Molecular FormulaC19H27F3N6O4
Molecular Weight460.46 g/mol
Exact Mass460.20
IUPAC Name5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1cc(CN2Cc3ncn(C)c3C(C(=O)NCCOC)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N6O2.C2HF3O2/c1-4-23-9-13(7-20-23)8-22-10-14(17(24)18-5-6-25-3)16-15(11-22)19-12-21(16)2;3-2(4,5)1(6)7/h7,9,12,14H,4-6,8,10-11H2,1-3H3,(H,18,24);(H,6,7)
InChIKeyHKJSAVOPVAWJOB-UHFFFAOYSA-N
XLogP1.13
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155844491) is 5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is CCn1cc(CN2Cc3ncn(C)c3C(C(=O)NCCOC)C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HKJSAVOPVAWJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2.C2HF3O2/c1-4-23-9-13(7-20-23)8-22-10-14(17(24)18-5-6-25-3)16-15(11-22)19-12-21(16)2;3-2(4,5)1(6)7/h7,9,12,14H,4-6,8,10-11H2,1-3H3,(H,18,24);(H,6,7).
What are the key properties of 5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 460.46 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155844491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).