5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide

C26H24FN7O2 — CID 166647952

IUPAC5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC3(COC3)C4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C26H24FN7O2/c1-15-7-18(27)17(8-21(15)33-10-20(28-14-33)16-5-6-16)25(35)30-22-4-2-3-19(29-22)24-32-31-23-9-26(11-34(23)24)12-36-13-26/h2-4,7-8,10,14,16H,5-6,9,11-13H2,1H3,(H,29,30,35)
InChIKeyUUHVIPAVSVOOPD-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.68
Rot. Bonds5

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide (PubChem CID 166647952) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide
PubChem CID166647952
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC3(COC3)C4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C26H24FN7O2/c1-15-7-18(27)17(8-21(15)33-10-20(28-14-33)16-5-6-16)25(35)30-22-4-2-3-19(29-22)24-32-31-23-9-26(11-34(23)24)12-36-13-26/h2-4,7-8,10,14,16H,5-6,9,11-13H2,1H3,(H,29,30,35)
InChIKeyUUHVIPAVSVOOPD-UHFFFAOYSA-N
XLogP3.68
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide (CID 166647952) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC3(COC3)C4)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide?
The InChIKey is UUHVIPAVSVOOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-15-7-18(27)17(8-21(15)33-10-20(28-14-33)16-5-6-16)25(35)30-22-4-2-3-19(29-22)24-32-31-23-9-26(11-34(23)24)12-36-13-26/h2-4,7-8,10,14,16H,5-6,9,11-13H2,1H3,(H,29,30,35).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide?
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide has a molecular weight of 485.52 g/mol, XLogP of 3.68, 5 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)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,3'-oxetane]-3-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 166647952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).