2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide

C17H22N4OS — CID 154748067

IUPAC2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCc2c(ncn2C2CC2)C1)c1cccs1
InChIInChI=1S/C17H22N4OS/c1-12(16-3-2-8-23-16)19-17(22)10-20-7-6-15-14(9-20)18-11-21(15)13-4-5-13/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,19,22)
InChIKeyDWLBLGINYBVAAZ-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.52
Rot. Bonds5

About 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 154748067) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID154748067
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCc2c(ncn2C2CC2)C1)c1cccs1
InChIInChI=1S/C17H22N4OS/c1-12(16-3-2-8-23-16)19-17(22)10-20-7-6-15-14(9-20)18-11-21(15)13-4-5-13/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,19,22)
InChIKeyDWLBLGINYBVAAZ-UHFFFAOYSA-N
XLogP2.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 52510657
2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 96500574
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 80546360
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 115647928
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16566117
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
2-[1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116684068
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
CID 42884527
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40966801

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 154748067) is 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CN1CCc2c(ncn2C2CC2)C1)c1cccs1.
What is the InChIKey of 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is DWLBLGINYBVAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12(16-3-2-8-23-16)19-17(22)10-20-7-6-15-14(9-20)18-11-21(15)13-4-5-13/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,19,22).
What are the key properties of 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 330.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 154748067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).