5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

C20H25F3N4O3S — CID 155831128

IUPAC5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1C(C(=O)NCCc1cccs1)CN(CC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4OS.C2HF3O2/c1-21-12-20-16-11-22(9-13-4-5-13)10-15(17(16)21)18(23)19-7-6-14-3-2-8-24-14;3-2(4,5)1(6)7/h2-3,8,12-13,15H,4-7,9-11H2,1H3,(H,19,23);(H,6,7)
InChIKeyLSQHZBIZPHWPKM-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.78
Rot. Bonds6

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

5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155831128) has the molecular formula C20H25F3N4O3S and a molecular weight of 458.51 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155831128
Molecular FormulaC20H25F3N4O3S
Molecular Weight458.51 g/mol
Exact Mass458.16
IUPAC Name5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1C(C(=O)NCCc1cccs1)CN(CC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4OS.C2HF3O2/c1-21-12-20-16-11-22(9-13-4-5-13)10-15(17(16)21)18(23)19-7-6-14-3-2-8-24-14;3-2(4,5)1(6)7/h2-3,8,12-13,15H,4-7,9-11H2,1H3,(H,19,23);(H,6,7)
InChIKeyLSQHZBIZPHWPKM-UHFFFAOYSA-N
XLogP2.78
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155831128) is 5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is Cn1cnc2c1C(C(=O)NCCc1cccs1)CN(CC1CC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LSQHZBIZPHWPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS.C2HF3O2/c1-21-12-20-16-11-22(9-13-4-5-13)10-15(17(16)21)18(23)19-7-6-14-3-2-8-24-14;3-2(4,5)1(6)7/h2-3,8,12-13,15H,4-7,9-11H2,1H3,(H,19,23);(H,6,7).
What are the key properties of 5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 458.51 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).