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

C25H25N7O2 — CID 166647954

IUPAC7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one
SMILESCC(C)n1cnnc1-c1cccc(N2CCOc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1
InChIInChI=1S/C25H25N7O2/c1-16(2)32-15-27-29-24(32)20-4-3-5-23(28-20)31-10-11-34-22-9-8-18(12-19(22)25(31)33)30-13-21(26-14-30)17-6-7-17/h3-5,8-9,12-17H,6-7,10-11H2,1-2H3
InChIKeyKUFVLJKMROYTMA-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.02
Rot. Bonds5

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

7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one (PubChem CID 166647954) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one
PubChem CID166647954
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one
SMILESCC(C)n1cnnc1-c1cccc(N2CCOc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1
InChIInChI=1S/C25H25N7O2/c1-16(2)32-15-27-29-24(32)20-4-3-5-23(28-20)31-10-11-34-22-9-8-18(12-19(22)25(31)33)30-13-21(26-14-30)17-6-7-17/h3-5,8-9,12-17H,6-7,10-11H2,1-2H3
InChIKeyKUFVLJKMROYTMA-UHFFFAOYSA-N
XLogP4.02
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-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

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one?
The IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one (CID 166647954) is 7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one.
What is the SMILES notation for 7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one?
The canonical SMILES for 7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one is CC(C)n1cnnc1-c1cccc(N2CCOc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.
What is the InChIKey of 7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one?
The InChIKey is KUFVLJKMROYTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-16(2)32-15-27-29-24(32)20-4-3-5-23(28-20)31-10-11-34-22-9-8-18(12-19(22)25(31)33)30-13-21(26-14-30)17-6-7-17/h3-5,8-9,12-17H,6-7,10-11H2,1-2H3.
What are the key properties of 7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one?
7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one has a molecular weight of 455.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one is sourced from PubChem (CID 166647954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).