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

C24H18FN5O2 — CID 155321661

IUPAC(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one
SMILESCc1c(-c2cc(F)c3c(c2)/C(=C/c2cc4ccncc4[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C24H18FN5O2/c1-12-18(10-28-24-21(12)27-4-5-32-24)14-7-16-17(23(31)30-22(16)19(25)8-14)9-15-6-13-2-3-26-11-20(13)29-15/h2-3,6-11,27,29H,4-5H2,1H3,(H,30,31)/b17-9-
InChIKeyPFSAEKNGQWQJNA-MFOYZWKCSA-N
MW427.44 g/mol
LogP4.37
Rot. Bonds2

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

(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one (PubChem CID 155321661) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one
PubChem CID155321661
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one
SMILESCc1c(-c2cc(F)c3c(c2)/C(=C/c2cc4ccncc4[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C24H18FN5O2/c1-12-18(10-28-24-21(12)27-4-5-32-24)14-7-16-17(23(31)30-22(16)19(25)8-14)9-15-6-13-2-3-26-11-20(13)29-15/h2-3,6-11,27,29H,4-5H2,1H3,(H,30,31)/b17-9-
InChIKeyPFSAEKNGQWQJNA-MFOYZWKCSA-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)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one with MolForge

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Related Compounds

(3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 16731836
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 10237631
5-{5-[(S)-2-Amino-3-(1h-Indol-3-Yl)-Propoxyl]-Pyridin-3-Yl}-3-[1-(1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One
CID 10310919
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-methyl-2,3-dihydro-1H-indol-2-one
CID 23647551
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-ethyl-2,3-dihydro-1H-indol-2-one
CID 23647552
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one
CID 23647554
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3,3-difluoro-2,3-dihydro-1H-indol-2-one
CID 23647555
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone
CID 77107393
(3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one
CID 155321318
(3Z)-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 155321377

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one (CID 155321661) is (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one is Cc1c(-c2cc(F)c3c(c2)/C(=C/c2cc4ccncc4[nH]2)C(=O)N3)cnc2c1NCCO2.
What is the InChIKey of (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is PFSAEKNGQWQJNA-MFOYZWKCSA-N. The full InChI is InChI=1S/C24H18FN5O2/c1-12-18(10-28-24-21(12)27-4-5-32-24)14-7-16-17(23(31)30-22(16)19(25)8-14)9-15-6-13-2-3-26-11-20(13)29-15/h2-3,6-11,27,29H,4-5H2,1H3,(H,30,31)/b17-9-.
What are the key properties of (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one?
(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-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)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 155321661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).