5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide

C25H22FN5O2 — CID 139581283

IUPAC5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cncc2-3)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C25H22FN5O2/c1-15-9-19(26)18(10-22(15)31-12-21(28-14-31)16-5-6-16)25(32)29-20-4-2-3-17-23-11-27-13-30(23)7-8-33-24(17)20/h2-4,9-14,16H,5-8H2,1H3,(H,29,32)
InChIKeyVYAJTUNGFPGXIH-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.71
Rot. Bonds4

About 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide

5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide (PubChem CID 139581283) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide
PubChem CID139581283
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cncc2-3)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C25H22FN5O2/c1-15-9-19(26)18(10-22(15)31-12-21(28-14-31)16-5-6-16)25(32)29-20-4-2-3-17-23-11-27-13-30(23)7-8-33-24(17)20/h2-4,9-14,16H,5-8H2,1H3,(H,29,32)
InChIKeyVYAJTUNGFPGXIH-UHFFFAOYSA-N
XLogP4.71
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide with MolForge

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Related Compounds

US10919911, Example 40
CID 139581181
US10919911, Example 10
CID 139581348
Smo-IN-1
CID 70684298
US10919911, Example 32
CID 139581153
US10919911, Example 1
CID 139581177
US10919911, Example 2
CID 139581182
US10919911, Example 16
CID 139581198
US10919911, Example 9
CID 139581200
US10919911, Example 8
CID 139581234
US10919911, Example 34
CID 139581238
US10919911, Example 45
CID 139581242
US10919911, Example 35
CID 139581301

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide (CID 139581283) is 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cncc2-3)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide?
The InChIKey is VYAJTUNGFPGXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-15-9-19(26)18(10-22(15)31-12-21(28-14-31)16-5-6-16)25(32)29-20-4-2-3-17-23-11-27-13-30(23)7-8-33-24(17)20/h2-4,9-14,16H,5-8H2,1H3,(H,29,32).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide?
5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide has a molecular weight of 443.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 139581283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).