(5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one

C24H19N3O3 — CID 1276175

IUPAC(5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
SMILESCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C24H19N3O3/c1-29-16-12-10-15(11-13-16)20-14-21-17-6-2-5-9-22(17)30-24(27(21)26-20)18-7-3-4-8-19(18)25-23(24)28/h2-13,21H,14H2,1H3,(H,25,28)/t21-,24-/m0/s1
InChIKeySEQMHHWIPXAEDN-URXFXBBRSA-N
MW397.43 g/mol
LogP4.04
Rot. Bonds2

About (5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one

(5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one (PubChem CID 1276175) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is (5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name(5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
PubChem CID1276175
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name(5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
SMILESCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C24H19N3O3/c1-29-16-12-10-15(11-13-16)20-14-21-17-6-2-5-9-22(17)30-24(27(21)26-20)18-7-3-4-8-19(18)25-23(24)28/h2-13,21H,14H2,1H3,(H,25,28)/t21-,24-/m0/s1
InChIKeySEQMHHWIPXAEDN-URXFXBBRSA-N
XLogP4.04
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?
The IUPAC name of (5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one (CID 1276175) is (5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one.
What is the SMILES notation for (5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?
The canonical SMILES for (5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one is COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?
The InChIKey is SEQMHHWIPXAEDN-URXFXBBRSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-29-16-12-10-15(11-13-16)20-14-21-17-6-2-5-9-22(17)30-24(27(21)26-20)18-7-3-4-8-19(18)25-23(24)28/h2-13,21H,14H2,1H3,(H,25,28)/t21-,24-/m0/s1.
What are the key properties of (5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?
(5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one has a molecular weight of 397.43 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10bS)-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one is sourced from PubChem (CID 1276175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).