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

C18H25F3N6O3 — CID 155836159

IUPAC5-[(2,5-dimethylpyrazol-3-yl)methyl]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3ncn(C)c3C(C(=O)N(C)C)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N6O.C2HF3O2/c1-11-6-12(21(5)18-11)7-22-8-13(16(23)19(2)3)15-14(9-22)17-10-20(15)4;3-2(4,5)1(6)7/h6,10,13H,7-9H2,1-5H3;(H,6,7)
InChIKeyKCLQKDOYLZVIST-UHFFFAOYSA-N
MW430.43 g/mol
LogP1.28
Rot. Bonds3

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

5-[(2,5-dimethylpyrazol-3-yl)methyl]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155836159) has the molecular formula C18H25F3N6O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrazol-3-yl)methyl]-N,N,1-trimethyl-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]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155836159
Molecular FormulaC18H25F3N6O3
Molecular Weight430.43 g/mol
Exact Mass430.19
IUPAC Name5-[(2,5-dimethylpyrazol-3-yl)methyl]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3ncn(C)c3C(C(=O)N(C)C)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N6O.C2HF3O2/c1-11-6-12(21(5)18-11)7-22-8-13(16(23)19(2)3)15-14(9-22)17-10-20(15)4;3-2(4,5)1(6)7/h6,10,13H,7-9H2,1-5H3;(H,6,7)
InChIKeyKCLQKDOYLZVIST-UHFFFAOYSA-N
XLogP1.28
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2,5-dimethylpyrazol-3-yl)methyl]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;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]-N,N,1-trimethyl-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]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155836159) is 5-[(2,5-dimethylpyrazol-3-yl)methyl]-N,N,1-trimethyl-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]-N,N,1-trimethyl-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]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(CN2Cc3ncn(C)c3C(C(=O)N(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]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KCLQKDOYLZVIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O.C2HF3O2/c1-11-6-12(21(5)18-11)7-22-8-13(16(23)19(2)3)15-14(9-22)17-10-20(15)4;3-2(4,5)1(6)7/h6,10,13H,7-9H2,1-5H3;(H,6,7).
What are the key properties of 5-[(2,5-dimethylpyrazol-3-yl)methyl]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
5-[(2,5-dimethylpyrazol-3-yl)methyl]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 430.43 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrazol-3-yl)methyl]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155836159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).