7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one

C26H23F3N6O2 — CID 160567537

IUPAC7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one
SMILESCC(n1ccnc1-c1cccc(N2CCOc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1)C(F)(F)F
InChIInChI=1S/C26H23F3N6O2/c1-16(26(27,28)29)34-10-9-30-24(34)20-3-2-4-23(32-20)35-11-12-37-22-8-7-18(13-19(22)25(35)36)33-14-21(31-15-33)17-5-6-17/h2-4,7-10,13-17H,5-6,11-12H2,1H3
InChIKeyIRMDFTSGJZENEW-UHFFFAOYSA-N
MW508.50 g/mol
LogP5.17
Rot. Bonds5

About 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one

7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one (PubChem CID 160567537) has the molecular formula C26H23F3N6O2 and a molecular weight of 508.50 g/mol. Its IUPAC name is 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one
PubChem CID160567537
Molecular FormulaC26H23F3N6O2
Molecular Weight508.50 g/mol
Exact Mass508.18
IUPAC Name7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one
SMILESCC(n1ccnc1-c1cccc(N2CCOc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1)C(F)(F)F
InChIInChI=1S/C26H23F3N6O2/c1-16(26(27,28)29)34-10-9-30-24(34)20-3-2-4-23(32-20)35-11-12-37-22-8-7-18(13-19(22)25(35)36)33-14-21(31-15-33)17-5-6-17/h2-4,7-10,13-17H,5-6,11-12H2,1H3
InChIKeyIRMDFTSGJZENEW-UHFFFAOYSA-N
XLogP5.17
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.50
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one 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

[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]methanone
CID 51346977
15-(4-Methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 138458386
US10919911, Example 32
CID 139581153
US10919911, Example 41
CID 139581283
US10919911, Example 28
CID 139581344
US11168095, Example 42
CID 142411831
1-(cyclopropylmethyl)-2-((5-ethoxypyridin-2-yl)methyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
CID 44561308
[5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-yl]-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]methanone
CID 68158301
[4-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]methanone
CID 69937706
US10183940, Example 63
CID 121339297
US10183940, Example 59
CID 121339299
US10183940, Example 61
CID 121339301

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one?
The IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one (CID 160567537) is 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one.
What is the SMILES notation for 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one?
The canonical SMILES for 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one is CC(n1ccnc1-c1cccc(N2CCOc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1)C(F)(F)F.
What is the InChIKey of 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one?
The InChIKey is IRMDFTSGJZENEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2/c1-16(26(27,28)29)34-10-9-30-24(34)20-3-2-4-23(32-20)35-11-12-37-22-8-7-18(13-19(22)25(35)36)33-14-21(31-15-33)17-5-6-17/h2-4,7-10,13-17H,5-6,11-12H2,1H3.
What are the key properties of 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one?
7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one has a molecular weight of 508.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one is sourced from PubChem (CID 160567537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).