5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine

C49H48N10O6S — CID 165081970

IUPAC5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CN(c2ccc4oc(N5CCOCC5)nc4n2)CC3)cc1.c1ccc2c3c([nH]c2c1)CCN(c1ccc2oc(N4CCOCC4)nc2n1)C3
InChIInChI=1S/C28H27N5O4S.C21H21N5O2/c1-19-6-8-20(9-7-19)38(34,35)33-23-5-3-2-4-21(23)22-18-32(13-12-24(22)33)26-11-10-25-27(29-26)30-28(37-25)31-14-16-36-17-15-31;1-2-4-16-14(3-1)15-13-26(8-7-17(15)22-16)19-6-5-18-20(23-19)24-21(28-18)25-9-11-27-12-10-25/h2-11H,12-18H2,1H3;1-6,22H,7-13H2
InChIKeyVGRIFKWZSBUOFV-UHFFFAOYSA-N
MW905.05 g/mol
LogP7.23
Rot. Bonds6

About 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine

5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 165081970) has the molecular formula C49H48N10O6S and a molecular weight of 905.05 g/mol. Its IUPAC name is 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID165081970
Molecular FormulaC49H48N10O6S
Molecular Weight905.05 g/mol
Exact Mass904.35
IUPAC Name5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CN(c2ccc4oc(N5CCOCC5)nc4n2)CC3)cc1.c1ccc2c3c([nH]c2c1)CCN(c1ccc2oc(N4CCOCC4)nc2n1)C3
InChIInChI=1S/C28H27N5O4S.C21H21N5O2/c1-19-6-8-20(9-7-19)38(34,35)33-23-5-3-2-4-21(23)22-18-32(13-12-24(22)33)26-11-10-25-27(29-26)30-28(37-25)31-14-16-36-17-15-31;1-2-4-16-14(3-1)15-13-26(8-7-17(15)22-16)19-6-5-18-20(23-19)24-21(28-18)25-9-11-27-12-10-25/h2-11H,12-18H2,1H3;1-6,22H,7-13H2
InChIKeyVGRIFKWZSBUOFV-UHFFFAOYSA-N
XLogP7.23
TPSA164.12 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.05
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 165081970) is 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine is Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CN(c2ccc4oc(N5CCOCC5)nc4n2)CC3)cc1.c1ccc2c3c([nH]c2c1)CCN(c1ccc2oc(N4CCOCC4)nc2n1)C3.
What is the InChIKey of 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is VGRIFKWZSBUOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4S.C21H21N5O2/c1-19-6-8-20(9-7-19)38(34,35)33-23-5-3-2-4-21(23)22-18-32(13-12-24(22)33)26-11-10-25-27(29-26)30-28(37-25)31-14-16-36-17-15-31;1-2-4-16-14(3-1)15-13-26(8-7-17(15)22-16)19-6-5-18-20(23-19)24-21(28-18)25-9-11-27-12-10-25/h2-11H,12-18H2,1H3;1-6,22H,7-13H2.
What are the key properties of 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 905.05 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 165081970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).