5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide

C23H21FN6O2S — CID 66628753

IUPAC5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide
SMILESCOc1cc(F)c(C(=O)Nc2csc(-c3nncn3C3CC3)c2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C23H21FN6O2S/c1-32-20-8-17(24)16(7-19(20)29-9-18(25-11-29)13-2-3-13)23(31)27-14-6-21(33-10-14)22-28-26-12-30(22)15-4-5-15/h6-13,15H,2-5H2,1H3,(H,27,31)
InChIKeyISOGLWXLWJLGDQ-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.80
Rot. Bonds7

About 5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide

5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide (PubChem CID 66628753) has the molecular formula C23H21FN6O2S and a molecular weight of 464.53 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide
PubChem CID66628753
Molecular FormulaC23H21FN6O2S
Molecular Weight464.53 g/mol
Exact Mass464.14
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide
SMILESCOc1cc(F)c(C(=O)Nc2csc(-c3nncn3C3CC3)c2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C23H21FN6O2S/c1-32-20-8-17(24)16(7-19(20)29-9-18(25-11-29)13-2-3-13)23(31)27-14-6-21(33-10-14)22-28-26-12-30(22)15-4-5-15/h6-13,15H,2-5H2,1H3,(H,27,31)
InChIKeyISOGLWXLWJLGDQ-UHFFFAOYSA-N
XLogP4.80
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]benzamide
CID 66628771
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide
CID 147621394
5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide
CID 66628785
methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
CID 130343964
4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide
CID 126761918
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 71245263
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
4-chloro-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 153293852
4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine
CID 159244119
[8-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-5-yl]methyl hypobromite
CID 153353105
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
CID 139581198
(E)-but-2-enedioic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 121439236

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide (CID 66628753) is 5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide is COc1cc(F)c(C(=O)Nc2csc(-c3nncn3C3CC3)c2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide?
The InChIKey is ISOGLWXLWJLGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2S/c1-32-20-8-17(24)16(7-19(20)29-9-18(25-11-29)13-2-3-13)23(31)27-14-6-21(33-10-14)22-28-26-12-30(22)15-4-5-15/h6-13,15H,2-5H2,1H3,(H,27,31).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide?
5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide has a molecular weight of 464.53 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 66628753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).