(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine

C24H28FN3 — CID 123132216

IUPAC(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
SMILESCN(C)[C@H]1CN([C@H]2CCc3cccc(F)c32)C[C@@H]1c1cn(C)c2ccccc12
InChIInChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1
InChIKeyXAWMNFFOVCNWGF-OIBXWCBGSA-N
MW377.51 g/mol
LogP4.33
Rot. Bonds3

About (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine

(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine (PubChem CID 123132216) has the molecular formula C24H28FN3 and a molecular weight of 377.51 g/mol. Its IUPAC name is (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
PubChem CID123132216
Molecular FormulaC24H28FN3
Molecular Weight377.51 g/mol
Exact Mass377.23
IUPAC Name(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
SMILESCN(C)[C@H]1CN([C@H]2CCc3cccc(F)c32)C[C@@H]1c1cn(C)c2ccccc12
InChIInChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1
InChIKeyXAWMNFFOVCNWGF-OIBXWCBGSA-N
XLogP4.33
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine (CID 123132216) is (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine is CN(C)[C@H]1CN([C@H]2CCc3cccc(F)c32)C[C@@H]1c1cn(C)c2ccccc12.
What is the InChIKey of (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine?
The InChIKey is XAWMNFFOVCNWGF-OIBXWCBGSA-N. The full InChI is InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1.
What are the key properties of (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine?
(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine has a molecular weight of 377.51 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 123132216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).