1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone

C32H27N7O3 — CID 171073574

IUPAC1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone
SMILESCc1cc2c(cc1-c1ccc3[nH]ncc3c1)Oc1cc(-c3ccc4[nH]ncc4c3)cnc1N2C(=O)CN1CCOCC1
InChIInChI=1S/C32H27N7O3/c1-19-10-28-29(14-25(19)21-3-5-27-24(12-21)17-35-37-27)42-30-13-22(20-2-4-26-23(11-20)16-34-36-26)15-33-32(30)39(28)31(40)18-38-6-8-41-9-7-38/h2-5,10-17H,6-9,18H2,1H3,(H,34,36)(H,35,37)
InChIKeyMINBRGQLLQNSNQ-UHFFFAOYSA-N
MW557.61 g/mol
LogP5.58
Rot. Bonds4

About 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone

1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone (PubChem CID 171073574) has the molecular formula C32H27N7O3 and a molecular weight of 557.61 g/mol. Its IUPAC name is 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone
PubChem CID171073574
Molecular FormulaC32H27N7O3
Molecular Weight557.61 g/mol
Exact Mass557.22
IUPAC Name1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone
SMILESCc1cc2c(cc1-c1ccc3[nH]ncc3c1)Oc1cc(-c3ccc4[nH]ncc4c3)cnc1N2C(=O)CN1CCOCC1
InChIInChI=1S/C32H27N7O3/c1-19-10-28-29(14-25(19)21-3-5-27-24(12-21)17-35-37-27)42-30-13-22(20-2-4-26-23(11-20)16-34-36-26)15-33-32(30)39(28)31(40)18-38-6-8-41-9-7-38/h2-5,10-17H,6-9,18H2,1H3,(H,34,36)(H,35,37)
InChIKeyMINBRGQLLQNSNQ-UHFFFAOYSA-N
XLogP5.58
TPSA112.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.61
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone 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 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone (CID 171073574) is 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone is Cc1cc2c(cc1-c1ccc3[nH]ncc3c1)Oc1cc(-c3ccc4[nH]ncc4c3)cnc1N2C(=O)CN1CCOCC1.
What is the InChIKey of 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone?
The InChIKey is MINBRGQLLQNSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N7O3/c1-19-10-28-29(14-25(19)21-3-5-27-24(12-21)17-35-37-27)42-30-13-22(20-2-4-26-23(11-20)16-34-36-26)15-33-32(30)39(28)31(40)18-38-6-8-41-9-7-38/h2-5,10-17H,6-9,18H2,1H3,(H,34,36)(H,35,37).
What are the key properties of 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone?
1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone has a molecular weight of 557.61 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,7-bis(1H-indazol-5-yl)-8-methylpyrido[3,2-b][1,4]benzoxazin-10-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 171073574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).