(3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one

C24H18FN5O2 — CID 155321569

IUPAC(3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one
SMILESCc1c(-c2cc3c(cc2F)NC(=O)/C3=C\c2cc3ncccc3[nH]2)cnc2c1NCCO2
InChIInChI=1S/C24H18FN5O2/c1-12-17(11-28-24-22(12)27-5-6-32-24)14-9-15-16(23(31)30-20(15)10-18(14)25)7-13-8-21-19(29-13)3-2-4-26-21/h2-4,7-11,27,29H,5-6H2,1H3,(H,30,31)/b16-7-
InChIKeyVETQJCCLTCSMCF-APSNUPSMSA-N
MW427.44 g/mol
LogP4.37
Rot. Bonds2

About (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one

(3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one (PubChem CID 155321569) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one
PubChem CID155321569
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name(3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one
SMILESCc1c(-c2cc3c(cc2F)NC(=O)/C3=C\c2cc3ncccc3[nH]2)cnc2c1NCCO2
InChIInChI=1S/C24H18FN5O2/c1-12-17(11-28-24-22(12)27-5-6-32-24)14-9-15-16(23(31)30-20(15)10-18(14)25)7-13-8-21-19(29-13)3-2-4-26-21/h2-4,7-11,27,29H,5-6H2,1H3,(H,30,31)/b16-7-
InChIKeyVETQJCCLTCSMCF-APSNUPSMSA-N
XLogP4.37
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one (CID 155321569) is (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one is Cc1c(-c2cc3c(cc2F)NC(=O)/C3=C\c2cc3ncccc3[nH]2)cnc2c1NCCO2.
What is the InChIKey of (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is VETQJCCLTCSMCF-APSNUPSMSA-N. The full InChI is InChI=1S/C24H18FN5O2/c1-12-17(11-28-24-22(12)27-5-6-32-24)14-9-15-16(23(31)30-20(15)10-18(14)25)7-13-8-21-19(29-13)3-2-4-26-21/h2-4,7-11,27,29H,5-6H2,1H3,(H,30,31)/b16-7-.
What are the key properties of (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one?
(3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 427.44 g/mol, XLogP of 4.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 155321569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).