7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione

C23H18F3N3O4 — CID 143657265

IUPAC7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione
SMILESCC12CC=CN=C1C1(CCn3c1cc1occc1c3=O)C(=O)N2Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C23H18F3N3O4/c1-21-6-2-8-27-19(21)22(7-9-28-16(22)11-15-14(18(28)30)5-10-32-15)20(31)29(21)12-13-3-4-17(33-13)23(24,25)26/h2-5,8,10-11H,6-7,9,12H2,1H3
InChIKeyOESSRWNDVZSFTD-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.01
Rot. Bonds2

About 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione

7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione (PubChem CID 143657265) has the molecular formula C23H18F3N3O4 and a molecular weight of 457.41 g/mol. Its IUPAC name is 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione.

Molecular Properties

Compound Name7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione
PubChem CID143657265
Molecular FormulaC23H18F3N3O4
Molecular Weight457.41 g/mol
Exact Mass457.12
IUPAC Name7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione
SMILESCC12CC=CN=C1C1(CCn3c1cc1occc1c3=O)C(=O)N2Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C23H18F3N3O4/c1-21-6-2-8-27-19(21)22(7-9-28-16(22)11-15-14(18(28)30)5-10-32-15)20(31)29(21)12-13-3-4-17(33-13)23(24,25)26/h2-5,8,10-11H,6-7,9,12H2,1H3
InChIKeyOESSRWNDVZSFTD-UHFFFAOYSA-N
XLogP4.01
TPSA80.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione?
The IUPAC name of 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione (CID 143657265) is 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione.
What is the SMILES notation for 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione?
The canonical SMILES for 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione is CC12CC=CN=C1C1(CCn3c1cc1occc1c3=O)C(=O)N2Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione?
The InChIKey is OESSRWNDVZSFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4/c1-21-6-2-8-27-19(21)22(7-9-28-16(22)11-15-14(18(28)30)5-10-32-15)20(31)29(21)12-13-3-4-17(33-13)23(24,25)26/h2-5,8,10-11H,6-7,9,12H2,1H3.
What are the key properties of 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione?
7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione has a molecular weight of 457.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione is sourced from PubChem (CID 143657265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).