(3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one

C23H15F3N4O2 — CID 91594870

IUPAC(3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one
SMILESO=C1Nc2ccccc2[C@@]12COc1cc3n[nH]c(Cc4ncccc4C(F)(F)F)c3cc12
InChIInChI=1S/C23H15F3N4O2/c24-23(25,26)14-5-3-7-27-19(14)9-17-12-8-15-20(10-18(12)30-29-17)32-11-22(15)13-4-1-2-6-16(13)28-21(22)31/h1-8,10H,9,11H2,(H,28,31)(H,29,30)/t22-/m1/s1
InChIKeyUUYHCUGHWZCTGB-JOCHJYFZSA-N
MW436.39 g/mol
LogP4.20
Rot. Bonds2

About (3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one

(3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one (PubChem CID 91594870) has the molecular formula C23H15F3N4O2 and a molecular weight of 436.39 g/mol. Its IUPAC name is (3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one.

Molecular Properties

Compound Name(3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one
PubChem CID91594870
Molecular FormulaC23H15F3N4O2
Molecular Weight436.39 g/mol
Exact Mass436.11
IUPAC Name(3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one
SMILESO=C1Nc2ccccc2[C@@]12COc1cc3n[nH]c(Cc4ncccc4C(F)(F)F)c3cc12
InChIInChI=1S/C23H15F3N4O2/c24-23(25,26)14-5-3-7-27-19(14)9-17-12-8-15-20(10-18(12)30-29-17)32-11-22(15)13-4-1-2-6-16(13)28-21(22)31/h1-8,10H,9,11H2,(H,28,31)(H,29,30)/t22-/m1/s1
InChIKeyUUYHCUGHWZCTGB-JOCHJYFZSA-N
XLogP4.20
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one?
The IUPAC name of (3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one (CID 91594870) is (3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one.
What is the SMILES notation for (3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one?
The canonical SMILES for (3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one is O=C1Nc2ccccc2[C@@]12COc1cc3n[nH]c(Cc4ncccc4C(F)(F)F)c3cc12.
What is the InChIKey of (3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one?
The InChIKey is UUYHCUGHWZCTGB-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H15F3N4O2/c24-23(25,26)14-5-3-7-27-19(14)9-17-12-8-15-20(10-18(12)30-29-17)32-11-22(15)13-4-1-2-6-16(13)28-21(22)31/h1-8,10H,9,11H2,(H,28,31)(H,29,30)/t22-/m1/s1.
What are the key properties of (3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one?
(3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one has a molecular weight of 436.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1H-indole-3,5'-2,6-dihydrofuro[3,2-f]indazole]-2-one is sourced from PubChem (CID 91594870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).