5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

C19H27F3N6O3 — CID 155847528

IUPAC5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3ncn(C)c3C(C(=O)NC(C)C)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N6O.C2HF3O2/c1-11(2)19-17(24)14-8-23(7-13-6-12(3)20-22(13)5)9-15-16(14)21(4)10-18-15;3-2(4,5)1(6)7/h6,10-11,14H,7-9H2,1-5H3,(H,19,24);(H,6,7)
InChIKeySQIMXLDMIQVHBU-UHFFFAOYSA-N
MW444.46 g/mol
LogP1.72
Rot. Bonds4

About 5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155847528) has the molecular formula C19H27F3N6O3 and a molecular weight of 444.46 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155847528
Molecular FormulaC19H27F3N6O3
Molecular Weight444.46 g/mol
Exact Mass444.21
IUPAC Name5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3ncn(C)c3C(C(=O)NC(C)C)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N6O.C2HF3O2/c1-11(2)19-17(24)14-8-23(7-13-6-12(3)20-22(13)5)9-15-16(14)21(4)10-18-15;3-2(4,5)1(6)7/h6,10-11,14H,7-9H2,1-5H3,(H,19,24);(H,6,7)
InChIKeySQIMXLDMIQVHBU-UHFFFAOYSA-N
XLogP1.72
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155847528) is 5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(CN2Cc3ncn(C)c3C(C(=O)NC(C)C)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-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SQIMXLDMIQVHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O.C2HF3O2/c1-11(2)19-17(24)14-8-23(7-13-6-12(3)20-22(13)5)9-15-16(14)21(4)10-18-15;3-2(4,5)1(6)7/h6,10-11,14H,7-9H2,1-5H3,(H,19,24);(H,6,7).
What are the key properties of 5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 444.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155847528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).