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

C24H18FN5O2 — CID 155321536

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-c]pyridin-2-ylmethylidene)-1H-indol-2-one
SMILESCc1c(-c2cc3c(cc2F)NC(=O)/C3=C\c2cc3cnccc3[nH]2)cnc2c1NCCO2
InChIInChI=1S/C24H18FN5O2/c1-12-18(11-28-24-22(12)27-4-5-32-24)15-8-16-17(23(31)30-21(16)9-19(15)25)7-14-6-13-10-26-3-2-20(13)29-14/h2-3,6-11,27,29H,4-5H2,1H3,(H,30,31)/b17-7-
InChIKeyWUFKGAGVUMQWGT-IDUWFGFVSA-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-c]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-c]pyridin-2-ylmethylidene)-1H-indol-2-one (PubChem CID 155321536) 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-c]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-c]pyridin-2-ylmethylidene)-1H-indol-2-one
PubChem CID155321536
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-c]pyridin-2-ylmethylidene)-1H-indol-2-one
SMILESCc1c(-c2cc3c(cc2F)NC(=O)/C3=C\c2cc3cnccc3[nH]2)cnc2c1NCCO2
InChIInChI=1S/C24H18FN5O2/c1-12-18(11-28-24-22(12)27-4-5-32-24)15-8-16-17(23(31)30-21(16)9-19(15)25)7-14-6-13-10-26-3-2-20(13)29-14/h2-3,6-11,27,29H,4-5H2,1H3,(H,30,31)/b17-7-
InChIKeyWUFKGAGVUMQWGT-IDUWFGFVSA-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-c]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-c]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-c]pyridin-2-ylmethylidene)-1H-indol-2-one (CID 155321536) 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-c]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-c]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-c]pyridin-2-ylmethylidene)-1H-indol-2-one is Cc1c(-c2cc3c(cc2F)NC(=O)/C3=C\c2cc3cnccc3[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-c]pyridin-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is WUFKGAGVUMQWGT-IDUWFGFVSA-N. The full InChI is InChI=1S/C24H18FN5O2/c1-12-18(11-28-24-22(12)27-4-5-32-24)15-8-16-17(23(31)30-21(16)9-19(15)25)7-14-6-13-10-26-3-2-20(13)29-14/h2-3,6-11,27,29H,4-5H2,1H3,(H,30,31)/b17-7-.
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-c]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-c]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-c]pyridin-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 155321536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).