(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

C24H19N5O2 — CID 155321377

IUPAC(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
SMILESCc1c(-c2ccc3c(c2)/C(=C/c2cc4cnccc4[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C24H19N5O2/c1-13-19(12-27-24-22(13)26-6-7-31-24)14-2-3-21-17(9-14)18(23(30)29-21)10-16-8-15-11-25-5-4-20(15)28-16/h2-5,8-12,26,28H,6-7H2,1H3,(H,29,30)/b18-10-
InChIKeyDLWLALBXXKNZFF-ZDLGFXPLSA-N
MW409.45 g/mol
LogP4.23
Rot. Bonds2

About (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

(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 (PubChem CID 155321377) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155321377
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name(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
SMILESCc1c(-c2ccc3c(c2)/C(=C/c2cc4cnccc4[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C24H19N5O2/c1-13-19(12-27-24-22(13)26-6-7-31-24)14-2-3-21-17(9-14)18(23(30)29-21)10-16-8-15-11-25-5-4-20(15)28-16/h2-5,8-12,26,28H,6-7H2,1H3,(H,29,30)/b18-10-
InChIKeyDLWLALBXXKNZFF-ZDLGFXPLSA-N
XLogP4.23
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1c(-c2ccc3c(c2)/C(=C/c2cc4cnccc4[nH]2)C(=O)N3)cnc2c1NCCO2.
What is the InChIKey of (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?
The InChIKey is DLWLALBXXKNZFF-ZDLGFXPLSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-13-19(12-27-24-22(13)26-6-7-31-24)14-2-3-21-17(9-14)18(23(30)29-21)10-16-8-15-11-25-5-4-20(15)28-16/h2-5,8-12,26,28H,6-7H2,1H3,(H,29,30)/b18-10-.
What are the key properties of (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?
(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 has a molecular weight of 409.45 g/mol, XLogP of 4.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155321377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).