2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole

C17H21FN2 — CID 178091734

IUPAC2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C2CC2)[nH]c2cccc(F)c12
InChIInChI=1S/C17H21FN2/c1-20-9-3-4-12(20)10-13-16-14(18)5-2-6-15(16)19-17(13)11-7-8-11/h2,5-6,11-12,19H,3-4,7-10H2,1H3/t12-/m1/s1/i1D3
InChIKeyUUIZXOPZYUHPBA-LBBMYNEISA-N
MW275.39 g/mol
LogP3.82
Rot. Bonds4

About 2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole

2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 178091734) has the molecular formula C17H21FN2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID178091734
Molecular FormulaC17H21FN2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C2CC2)[nH]c2cccc(F)c12
InChIInChI=1S/C17H21FN2/c1-20-9-3-4-12(20)10-13-16-14(18)5-2-6-15(16)19-17(13)11-7-8-11/h2,5-6,11-12,19H,3-4,7-10H2,1H3/t12-/m1/s1/i1D3
InChIKeyUUIZXOPZYUHPBA-LBBMYNEISA-N
XLogP3.82
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (CID 178091734) is 2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is [2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C2CC2)[nH]c2cccc(F)c12.
What is the InChIKey of 2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is UUIZXOPZYUHPBA-LBBMYNEISA-N. The full InChI is InChI=1S/C17H21FN2/c1-20-9-3-4-12(20)10-13-16-14(18)5-2-6-15(16)19-17(13)11-7-8-11/h2,5-6,11-12,19H,3-4,7-10H2,1H3/t12-/m1/s1/i1D3.
What are the key properties of 2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 275.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 178091734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).