(3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one

C24H21FN4O2 — CID 162658671

IUPAC(3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one
SMILESCc1c(-c2cc(F)c3c(c2)/C(=C/c2ccc(C4CC4)[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C24H21FN4O2/c1-12-18(11-27-24-21(12)26-6-7-31-24)14-8-16-17(23(30)29-22(16)19(25)9-14)10-15-4-5-20(28-15)13-2-3-13/h4-5,8-11,13,26,28H,2-3,6-7H2,1H3,(H,29,30)/b17-10-
InChIKeyFFWIIJDLELGDJL-YVLHZVERSA-N
MW416.46 g/mol
LogP4.70
Rot. Bonds3

About (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one

(3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one (PubChem CID 162658671) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one
PubChem CID162658671
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name(3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one
SMILESCc1c(-c2cc(F)c3c(c2)/C(=C/c2ccc(C4CC4)[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C24H21FN4O2/c1-12-18(11-27-24-21(12)26-6-7-31-24)14-8-16-17(23(30)29-22(16)19(25)9-14)10-15-4-5-20(28-15)13-2-3-13/h4-5,8-11,13,26,28H,2-3,6-7H2,1H3,(H,29,30)/b17-10-
InChIKeyFFWIIJDLELGDJL-YVLHZVERSA-N
XLogP4.70
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-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 (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one (CID 162658671) is (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one is Cc1c(-c2cc(F)c3c(c2)/C(=C/c2ccc(C4CC4)[nH]2)C(=O)N3)cnc2c1NCCO2.
What is the InChIKey of (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one?
The InChIKey is FFWIIJDLELGDJL-YVLHZVERSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-12-18(11-27-24-21(12)26-6-7-31-24)14-8-16-17(23(30)29-22(16)19(25)9-14)10-15-4-5-20(28-15)13-2-3-13/h4-5,8-11,13,26,28H,2-3,6-7H2,1H3,(H,29,30)/b17-10-.
What are the key properties of (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one?
(3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one has a molecular weight of 416.46 g/mol, XLogP of 4.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-cyclopropyl-1H-pyrrol-2-yl)methylidene]-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one is sourced from PubChem (CID 162658671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).