5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile

C22H17N5O2 — CID 155321650

IUPAC5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile
SMILESCc1c(-c2ccc3c(c2)/C(=C/c2cc(C#N)c[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C22H17N5O2/c1-12-18(11-26-22-20(12)24-4-5-29-22)14-2-3-19-16(7-14)17(21(28)27-19)8-15-6-13(9-23)10-25-15/h2-3,6-8,10-11,24-25H,4-5H2,1H3,(H,27,28)/b17-8-
InChIKeyYYOIGXHMRKRQCY-IUXPMGMMSA-N
MW383.41 g/mol
LogP3.55
Rot. Bonds2

About 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile

5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile (PubChem CID 155321650) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile
PubChem CID155321650
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile
SMILESCc1c(-c2ccc3c(c2)/C(=C/c2cc(C#N)c[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C22H17N5O2/c1-12-18(11-26-22-20(12)24-4-5-29-22)14-2-3-19-16(7-14)17(21(28)27-19)8-15-6-13(9-23)10-25-15/h2-3,6-8,10-11,24-25H,4-5H2,1H3,(H,27,28)/b17-8-
InChIKeyYYOIGXHMRKRQCY-IUXPMGMMSA-N
XLogP3.55
TPSA102.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile 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 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile (CID 155321650) is 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile is Cc1c(-c2ccc3c(c2)/C(=C/c2cc(C#N)c[nH]2)C(=O)N3)cnc2c1NCCO2.
What is the InChIKey of 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile?
The InChIKey is YYOIGXHMRKRQCY-IUXPMGMMSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-12-18(11-26-22-20(12)24-4-5-29-22)14-2-3-19-16(7-14)17(21(28)27-19)8-15-6-13(9-23)10-25-15/h2-3,6-8,10-11,24-25H,4-5H2,1H3,(H,27,28)/b17-8-.
What are the key properties of 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile?
5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile has a molecular weight of 383.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 155321650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).