(3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one

C24H18F2N2O4 — CID 68657584

IUPAC(3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
SMILESO=C1Nc2ccccc2[C@]12COc1cc3c(cc12)OC(Cc1ncccc1C(F)F)CO3
InChIInChI=1S/C24H18F2N2O4/c25-22(26)14-4-3-7-27-18(14)8-13-11-30-20-10-19-16(9-21(20)32-13)24(12-31-19)15-5-1-2-6-17(15)28-23(24)29/h1-7,9-10,13,22H,8,11-12H2,(H,28,29)/t13?,24-/m0/s1
InChIKeyDGOZCPPCMQVIBQ-PUCHIXIPSA-N
MW436.41 g/mol
LogP4.03
Rot. Bonds3

About (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one

(3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one (PubChem CID 68657584) has the molecular formula C24H18F2N2O4 and a molecular weight of 436.41 g/mol. Its IUPAC name is (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one.

Molecular Properties

Compound Name(3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
PubChem CID68657584
Molecular FormulaC24H18F2N2O4
Molecular Weight436.41 g/mol
Exact Mass436.12
IUPAC Name(3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
SMILESO=C1Nc2ccccc2[C@]12COc1cc3c(cc12)OC(Cc1ncccc1C(F)F)CO3
InChIInChI=1S/C24H18F2N2O4/c25-22(26)14-4-3-7-27-18(14)8-13-11-30-20-10-19-16(9-21(20)32-13)24(12-31-19)15-5-1-2-6-17(15)28-23(24)29/h1-7,9-10,13,22H,8,11-12H2,(H,28,29)/t13?,24-/m0/s1
InChIKeyDGOZCPPCMQVIBQ-PUCHIXIPSA-N
XLogP4.03
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
The IUPAC name of (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one (CID 68657584) is (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one.
What is the SMILES notation for (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
The canonical SMILES for (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one is O=C1Nc2ccccc2[C@]12COc1cc3c(cc12)OC(Cc1ncccc1C(F)F)CO3.
What is the InChIKey of (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
The InChIKey is DGOZCPPCMQVIBQ-PUCHIXIPSA-N. The full InChI is InChI=1S/C24H18F2N2O4/c25-22(26)14-4-3-7-27-18(14)8-13-11-30-20-10-19-16(9-21(20)32-13)24(12-31-19)15-5-1-2-6-17(15)28-23(24)29/h1-7,9-10,13,22H,8,11-12H2,(H,28,29)/t13?,24-/m0/s1.
What are the key properties of (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one?
(3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one has a molecular weight of 436.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2'-[[3-(difluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one is sourced from PubChem (CID 68657584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).