(2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine

C20H22FN3O2 — CID 67778466

IUPAC(2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine
SMILESC[C@H](N)COc1ccc(-n2cc3ccc(OCC4CC4)cc3n2)c(F)c1
InChIInChI=1S/C20H22FN3O2/c1-13(22)11-25-16-6-7-20(18(21)8-16)24-10-15-4-5-17(9-19(15)23-24)26-12-14-2-3-14/h4-10,13-14H,2-3,11-12,22H2,1H3/t13-/m0/s1
InChIKeyJUBRCMNKBPVLGN-ZDUSSCGKSA-N
MW355.41 g/mol
LogP3.68
Rot. Bonds7

About (2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine

(2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine (PubChem CID 67778466) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine
PubChem CID67778466
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine
SMILESC[C@H](N)COc1ccc(-n2cc3ccc(OCC4CC4)cc3n2)c(F)c1
InChIInChI=1S/C20H22FN3O2/c1-13(22)11-25-16-6-7-20(18(21)8-16)24-10-15-4-5-17(9-19(15)23-24)26-12-14-2-3-14/h4-10,13-14H,2-3,11-12,22H2,1H3/t13-/m0/s1
InChIKeyJUBRCMNKBPVLGN-ZDUSSCGKSA-N
XLogP3.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine?
The IUPAC name of (2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine (CID 67778466) is (2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine?
The canonical SMILES for (2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine is C[C@H](N)COc1ccc(-n2cc3ccc(OCC4CC4)cc3n2)c(F)c1.
What is the InChIKey of (2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine?
The InChIKey is JUBRCMNKBPVLGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-13(22)11-25-16-6-7-20(18(21)8-16)24-10-15-4-5-17(9-19(15)23-24)26-12-14-2-3-14/h4-10,13-14H,2-3,11-12,22H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine?
(2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine has a molecular weight of 355.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3-fluorophenoxy]propan-2-amine is sourced from PubChem (CID 67778466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).