3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine

C20H21FN2O2S — CID 134310796

IUPAC3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine
SMILESCNC1C=C(c2cc(S(C)=O)ncc2OCC2CC2)c2ccc(F)cc21
InChIInChI=1S/C20H21FN2O2S/c1-22-18-8-15(14-6-5-13(21)7-16(14)18)17-9-20(26(2)24)23-10-19(17)25-11-12-3-4-12/h5-10,12,18,22H,3-4,11H2,1-2H3
InChIKeyUBOOCTADRYNOEV-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.45
Rot. Bonds6

About 3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine

3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine (PubChem CID 134310796) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine.

Molecular Properties

Compound Name3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine
PubChem CID134310796
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine
SMILESCNC1C=C(c2cc(S(C)=O)ncc2OCC2CC2)c2ccc(F)cc21
InChIInChI=1S/C20H21FN2O2S/c1-22-18-8-15(14-6-5-13(21)7-16(14)18)17-9-20(26(2)24)23-10-19(17)25-11-12-3-4-12/h5-10,12,18,22H,3-4,11H2,1-2H3
InChIKeyUBOOCTADRYNOEV-UHFFFAOYSA-N
XLogP3.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine?
The IUPAC name of 3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine (CID 134310796) is 3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine.
What is the SMILES notation for 3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine?
The canonical SMILES for 3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine is CNC1C=C(c2cc(S(C)=O)ncc2OCC2CC2)c2ccc(F)cc21.
What is the InChIKey of 3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine?
The InChIKey is UBOOCTADRYNOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-22-18-8-15(14-6-5-13(21)7-16(14)18)17-9-20(26(2)24)23-10-19(17)25-11-12-3-4-12/h5-10,12,18,22H,3-4,11H2,1-2H3.
What are the key properties of 3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine?
3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine has a molecular weight of 372.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopropylmethoxy)-2-methylsulfinyl-4-pyridinyl]-6-fluoro-N-methyl-1H-inden-1-amine is sourced from PubChem (CID 134310796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).