4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

C25H20N4O2 — CID 159117286

IUPAC4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(-c3ccnc4cc(-c5ccc(C6=CCC=N6)cc5)oc34)cnc21
InChIInChI=1S/C25H20N4O2/c1-29-11-12-30-23-13-18(15-28-25(23)29)19-8-10-27-21-14-22(31-24(19)21)17-6-4-16(5-7-17)20-3-2-9-26-20/h3-10,13-15H,2,11-12H2,1H3
InChIKeyKFGBPRIGXDZDHV-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.20
Rot. Bonds3

About 4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 159117286) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID159117286
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(-c3ccnc4cc(-c5ccc(C6=CCC=N6)cc5)oc34)cnc21
InChIInChI=1S/C25H20N4O2/c1-29-11-12-30-23-13-18(15-28-25(23)29)19-8-10-27-21-14-22(31-24(19)21)17-6-4-16(5-7-17)20-3-2-9-26-20/h3-10,13-15H,2,11-12H2,1H3
InChIKeyKFGBPRIGXDZDHV-UHFFFAOYSA-N
XLogP5.20
TPSA63.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 159117286) is 4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is CN1CCOc2cc(-c3ccnc4cc(-c5ccc(C6=CCC=N6)cc5)oc34)cnc21.
What is the InChIKey of 4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is KFGBPRIGXDZDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-29-11-12-30-23-13-18(15-28-25(23)29)19-8-10-27-21-14-22(31-24(19)21)17-6-4-16(5-7-17)20-3-2-9-26-20/h3-10,13-15H,2,11-12H2,1H3.
What are the key properties of 4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 408.46 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[2-[4-(3H-pyrrol-5-yl)phenyl]furo[3,2-b]pyridin-7-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 159117286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).