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

C20H25F3N4O3S — CID 155834587

IUPAC5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1C(C(=O)NCc1cccs1)CN(C1CCCC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4OS.C2HF3O2/c1-21-12-20-16-11-22(13-5-2-3-6-13)10-15(17(16)21)18(23)19-9-14-7-4-8-24-14;3-2(4,5)1(6)7/h4,7-8,12-13,15H,2-3,5-6,9-11H2,1H3,(H,19,23);(H,6,7)
InChIKeyIRBBDZGZDNBTDY-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.27
Rot. Bonds4

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

5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155834587) has the molecular formula C20H25F3N4O3S and a molecular weight of 458.51 g/mol. Its IUPAC name is 5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155834587
Molecular FormulaC20H25F3N4O3S
Molecular Weight458.51 g/mol
Exact Mass458.16
IUPAC Name5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1C(C(=O)NCc1cccs1)CN(C1CCCC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4OS.C2HF3O2/c1-21-12-20-16-11-22(13-5-2-3-6-13)10-15(17(16)21)18(23)19-9-14-7-4-8-24-14;3-2(4,5)1(6)7/h4,7-8,12-13,15H,2-3,5-6,9-11H2,1H3,(H,19,23);(H,6,7)
InChIKeyIRBBDZGZDNBTDY-UHFFFAOYSA-N
XLogP3.27
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131646186
(7R)-5-cyclopentyl-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124808407
N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677678
5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155834456
5-cyclobutyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155824149
(4R,4aS,8aR)-6-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155861806
3-methyl-5-(pyridine-3-carbonyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 134078505
(2R,3aS,7aS)-6-cyclopentyl-N-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366557
(3aR,6S,6aR)-4-[(2-methylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155826122
2-[3-(2-methylpropyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(thiophen-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155832391
2-[[(4-cyclohexylpiperazin-1-yl)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110048030
(2R,3S)-3-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635846

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155834587) is 5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is Cn1cnc2c1C(C(=O)NCc1cccs1)CN(C1CCCC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is IRBBDZGZDNBTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS.C2HF3O2/c1-21-12-20-16-11-22(13-5-2-3-6-13)10-15(17(16)21)18(23)19-9-14-7-4-8-24-14;3-2(4,5)1(6)7/h4,7-8,12-13,15H,2-3,5-6,9-11H2,1H3,(H,19,23);(H,6,7).
What are the key properties of 5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-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 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).