N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

C18H21F3N4O2S — CID 53191060

IUPACN-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1CC)CN(C(=O)c1ccc(C(F)(F)F)s1)CC2
InChIInChI=1S/C18H21F3N4O2S/c1-3-16(26)22-9-15-23-11-7-8-24(10-12(11)25(15)4-2)17(27)13-5-6-14(28-13)18(19,20)21/h5-6H,3-4,7-10H2,1-2H3,(H,22,26)
InChIKeyKDRDVSJJMDPLII-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.21
Rot. Bonds5

About N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (PubChem CID 53191060) has the molecular formula C18H21F3N4O2S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
PubChem CID53191060
Molecular FormulaC18H21F3N4O2S
Molecular Weight414.45 g/mol
Exact Mass414.13
IUPAC NameN-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1CC)CN(C(=O)c1ccc(C(F)(F)F)s1)CC2
InChIInChI=1S/C18H21F3N4O2S/c1-3-16(26)22-9-15-23-11-7-8-24(10-12(11)25(15)4-2)17(27)13-5-6-14(28-13)18(19,20)21/h5-6H,3-4,7-10H2,1-2H3,(H,22,26)
InChIKeyKDRDVSJJMDPLII-UHFFFAOYSA-N
XLogP3.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide 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 N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The IUPAC name of N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (CID 53191060) is N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is CCC(=O)NCc1nc2c(n1CC)CN(C(=O)c1ccc(C(F)(F)F)s1)CC2.
What is the InChIKey of N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The InChIKey is KDRDVSJJMDPLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2S/c1-3-16(26)22-9-15-23-11-7-8-24(10-12(11)25(15)4-2)17(27)13-5-6-14(28-13)18(19,20)21/h5-6H,3-4,7-10H2,1-2H3,(H,22,26).
What are the key properties of N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide has a molecular weight of 414.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is sourced from PubChem (CID 53191060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).