5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C23H26FN3 — CID 146601376

IUPAC5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(c3ccc(-c4ccc5c(c4)C=CC5CCF)nc3)CC2C1
InChIInChI=1S/C23H26FN3/c1-26-12-19-14-27(15-20(19)13-26)21-5-7-23(25-11-21)18-4-6-22-16(8-9-24)2-3-17(22)10-18/h2-7,10-11,16,19-20H,8-9,12-15H2,1H3
InChIKeyTUVQSVJHSJMOBV-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.22
Rot. Bonds4

About 5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 146601376) has the molecular formula C23H26FN3 and a molecular weight of 363.48 g/mol. Its IUPAC name is 5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID146601376
Molecular FormulaC23H26FN3
Molecular Weight363.48 g/mol
Exact Mass363.21
IUPAC Name5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(c3ccc(-c4ccc5c(c4)C=CC5CCF)nc3)CC2C1
InChIInChI=1S/C23H26FN3/c1-26-12-19-14-27(15-20(19)13-26)21-5-7-23(25-11-21)18-4-6-22-16(8-9-24)2-3-17(22)10-18/h2-7,10-11,16,19-20H,8-9,12-15H2,1H3
InChIKeyTUVQSVJHSJMOBV-UHFFFAOYSA-N
XLogP4.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 146601376) is 5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1CC2CN(c3ccc(-c4ccc5c(c4)C=CC5CCF)nc3)CC2C1.
What is the InChIKey of 5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is TUVQSVJHSJMOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3/c1-26-12-19-14-27(15-20(19)13-26)21-5-7-23(25-11-21)18-4-6-22-16(8-9-24)2-3-17(22)10-18/h2-7,10-11,16,19-20H,8-9,12-15H2,1H3.
What are the key properties of 5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 363.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-(2-fluoroethyl)-1H-inden-5-yl]-3-pyridinyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 146601376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).