3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

C19H20F3N5O — CID 164626148

IUPAC3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1ncc(C(C)NC(=O)c2[nH]cc(Cc3ccc(C(F)(F)F)nc3)c2C)[nH]1
InChIInChI=1S/C19H20F3N5O/c1-10-14(6-13-4-5-16(24-7-13)19(20,21)22)8-25-17(10)18(28)26-11(2)15-9-23-12(3)27-15/h4-5,7-9,11,25H,6H2,1-3H3,(H,23,27)(H,26,28)
InChIKeyWYXPMKKJOFDLNE-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.85
Rot. Bonds5

About 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 164626148) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID164626148
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1ncc(C(C)NC(=O)c2[nH]cc(Cc3ccc(C(F)(F)F)nc3)c2C)[nH]1
InChIInChI=1S/C19H20F3N5O/c1-10-14(6-13-4-5-16(24-7-13)19(20,21)22)8-25-17(10)18(28)26-11(2)15-9-23-12(3)27-15/h4-5,7-9,11,25H,6H2,1-3H3,(H,23,27)(H,26,28)
InChIKeyWYXPMKKJOFDLNE-UHFFFAOYSA-N
XLogP3.85
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Alosetron
CID 2099
2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}-N-{5-Methyl-4-[4-(Trifluoromethyl)phenyl]-1h-Imidazol-2-Yl}pyridine-3-Carboxamide
CID 71059525
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
Histidyltryptophyldiketopiperazine
CID 24066854
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313
5-(Azetidine-1-carbonyl)-3-methyl-2-trifluoromethyl-3H-imidazole-4-carboxylic acid [2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-amide
CID 71288686
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
N-[4-(1H-Imidazol-4-yl)-butyl]-3,3-di-pyridin-2-yl-propionamide
CID 23562989
N-(2-(dimethylamino)ethyl)-2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 24780352
Azd-5597
CID 16113484
Oxo-arpromidine
CID 25149244
3-(3-benzyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dihydro-1H-pyrrolo[3,4-b]pyrrol-6-one
CID 155804537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 164626148) is 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is Cc1ncc(C(C)NC(=O)c2[nH]cc(Cc3ccc(C(F)(F)F)nc3)c2C)[nH]1.
What is the InChIKey of 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WYXPMKKJOFDLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-10-14(6-13-4-5-16(24-7-13)19(20,21)22)8-25-17(10)18(28)26-11(2)15-9-23-12(3)27-15/h4-5,7-9,11,25H,6H2,1-3H3,(H,23,27)(H,26,28).
What are the key properties of 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methyl-1H-imidazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164626148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).