4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide

C20H17FN4OS — CID 55716468

IUPAC4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCc2ccnc(-n3ccnc3C)c2)sc2cccc(F)c12
InChIInChI=1S/C20H17FN4OS/c1-12-18-15(21)4-3-5-16(18)27-19(12)20(26)24-11-14-6-7-23-17(10-14)25-9-8-22-13(25)2/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyFDGHSPOLNXPLSI-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.17
Rot. Bonds4

About 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 55716468) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID55716468
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCc2ccnc(-n3ccnc3C)c2)sc2cccc(F)c12
InChIInChI=1S/C20H17FN4OS/c1-12-18-15(21)4-3-5-16(18)27-19(12)20(26)24-11-14-6-7-23-17(10-14)25-9-8-22-13(25)2/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyFDGHSPOLNXPLSI-UHFFFAOYSA-N
XLogP4.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

4-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 37424239
5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 55912886
4-fluoro-3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 41261795
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 134035410
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 51115815
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
4-fluoro-3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38542555
5-ethyl-1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55847605
tert-butyl N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]phenyl]carbamate
CID 47036415
3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
CID 55717730
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
CID 94122258
N-(3-amino-2-methylpropyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 119995209

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide (CID 55716468) is 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCc2ccnc(-n3ccnc3C)c2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is FDGHSPOLNXPLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-12-18-15(21)4-3-5-16(18)27-19(12)20(26)24-11-14-6-7-23-17(10-14)25-9-8-22-13(25)2/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55716468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).