6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole

C23H25FN4O2 — CID 177148876

IUPAC6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
SMILESCN1c2cc(F)ccc2C2CN(c3ccc4nc(N5CCOCC5)oc4c3)CCC21
InChIInChI=1S/C23H25FN4O2/c1-26-20-6-7-28(14-18(20)17-4-2-15(24)12-21(17)26)16-3-5-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27/h2-5,12-13,18,20H,6-11,14H2,1H3
InChIKeyBGCWSKUKYRHGBA-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.62
Rot. Bonds2

About 6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole

6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole (PubChem CID 177148876) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
PubChem CID177148876
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
SMILESCN1c2cc(F)ccc2C2CN(c3ccc4nc(N5CCOCC5)oc4c3)CCC21
InChIInChI=1S/C23H25FN4O2/c1-26-20-6-7-28(14-18(20)17-4-2-15(24)12-21(17)26)16-3-5-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27/h2-5,12-13,18,20H,6-11,14H2,1H3
InChIKeyBGCWSKUKYRHGBA-UHFFFAOYSA-N
XLogP3.62
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The IUPAC name of 6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole (CID 177148876) is 6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The canonical SMILES for 6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole is CN1c2cc(F)ccc2C2CN(c3ccc4nc(N5CCOCC5)oc4c3)CCC21.
What is the InChIKey of 6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The InChIKey is BGCWSKUKYRHGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-26-20-6-7-28(14-18(20)17-4-2-15(24)12-21(17)26)16-3-5-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27/h2-5,12-13,18,20H,6-11,14H2,1H3.
What are the key properties of 6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole has a molecular weight of 408.48 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 177148876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).