N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C18H20F3N5O3S — CID 90404386

IUPACN-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CC(NC(=O)C3(C(F)(F)F)CC3)C(c3ccccn3)C2)c1
InChIInChI=1S/C18H20F3N5O3S/c1-25-10-15(23-11-25)30(28,29)26-8-12(13-4-2-3-7-22-13)14(9-26)24-16(27)17(5-6-17)18(19,20)21/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,24,27)
InChIKeyWEAUJTOQHLQJQM-UHFFFAOYSA-N
MW443.45 g/mol
LogP1.43
Rot. Bonds5

About N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 90404386) has the molecular formula C18H20F3N5O3S and a molecular weight of 443.45 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID90404386
Molecular FormulaC18H20F3N5O3S
Molecular Weight443.45 g/mol
Exact Mass443.12
IUPAC NameN-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CC(NC(=O)C3(C(F)(F)F)CC3)C(c3ccccn3)C2)c1
InChIInChI=1S/C18H20F3N5O3S/c1-25-10-15(23-11-25)30(28,29)26-8-12(13-4-2-3-7-22-13)14(9-26)24-16(27)17(5-6-17)18(19,20)21/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,24,27)
InChIKeyWEAUJTOQHLQJQM-UHFFFAOYSA-N
XLogP1.43
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-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

N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 90404383
N-[(3S,4R)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 90404389
(3S,4R)-N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-amine
CID 90406130
N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]benzamide
CID 90406554
N-[4-hydroxy-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 90405513
tert-butyl N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate
CID 140653745
4-chloro-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]benzamide
CID 90406260
4,4-difluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]pentanamide
CID 90404394
(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90406968
2-cyano-N-[(3S,4R)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]benzamide
CID 90405692
2,3-dichloro-N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]benzamide
CID 90405959
N-[2,2,2-trifluoro-1-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]ethoxy]pyridin-2-amine
CID 90410087

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 90404386) is N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is Cn1cnc(S(=O)(=O)N2CC(NC(=O)C3(C(F)(F)F)CC3)C(c3ccccn3)C2)c1.
What is the InChIKey of N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is WEAUJTOQHLQJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3S/c1-25-10-15(23-11-25)30(28,29)26-8-12(13-4-2-3-7-22-13)14(9-26)24-16(27)17(5-6-17)18(19,20)21/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,24,27).
What are the key properties of N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-2-ylpyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90404386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).