3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine

C25H16N6O — CID 177251587

IUPAC3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine
SMILESc1cc2c(cc1-c1ccc3[nH]ncc3c1)Oc1cc(-c3ccc4[nH]ncc4c3)cnc1N2
InChIInChI=1S/C25H16N6O/c1-4-20-18(12-27-30-20)7-14(1)16-3-6-22-23(9-16)32-24-10-17(11-26-25(24)29-22)15-2-5-21-19(8-15)13-28-31-21/h1-13H,(H,26,29)(H,27,30)(H,28,31)
InChIKeyJEBVVVOLQXZSGP-UHFFFAOYSA-N
MW416.44 g/mol
LogP6.02
Rot. Bonds2

About 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine

3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine (PubChem CID 177251587) has the molecular formula C25H16N6O and a molecular weight of 416.44 g/mol. Its IUPAC name is 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine
PubChem CID177251587
Molecular FormulaC25H16N6O
Molecular Weight416.44 g/mol
Exact Mass416.14
IUPAC Name3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine
SMILESc1cc2c(cc1-c1ccc3[nH]ncc3c1)Oc1cc(-c3ccc4[nH]ncc4c3)cnc1N2
InChIInChI=1S/C25H16N6O/c1-4-20-18(12-27-30-20)7-14(1)16-3-6-22-23(9-16)32-24-10-17(11-26-25(24)29-22)15-2-5-21-19(8-15)13-28-31-21/h1-13H,(H,26,29)(H,27,30)(H,28,31)
InChIKeyJEBVVVOLQXZSGP-UHFFFAOYSA-N
XLogP6.02
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine 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 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine?
The IUPAC name of 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine (CID 177251587) is 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine?
The canonical SMILES for 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine is c1cc2c(cc1-c1ccc3[nH]ncc3c1)Oc1cc(-c3ccc4[nH]ncc4c3)cnc1N2.
What is the InChIKey of 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine?
The InChIKey is JEBVVVOLQXZSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O/c1-4-20-18(12-27-30-20)7-14(1)16-3-6-22-23(9-16)32-24-10-17(11-26-25(24)29-22)15-2-5-21-19(8-15)13-28-31-21/h1-13H,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine?
3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine has a molecular weight of 416.44 g/mol, XLogP of 6.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 177251587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).