(2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine

C20H21F2N3O2 — CID 171355750

IUPAC(2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine
SMILESCn1ncc2cc(CN3CCO[C@H](COc4ccc(F)c(F)c4)C3)ccc21
InChIInChI=1S/C20H21F2N3O2/c1-24-20-5-2-14(8-15(20)10-23-24)11-25-6-7-26-17(12-25)13-27-16-3-4-18(21)19(22)9-16/h2-5,8-10,17H,6-7,11-13H2,1H3/t17-/m0/s1
InChIKeyJAKIOOTWQGBKAJ-KRWDZBQOSA-N
MW373.40 g/mol
LogP3.13
Rot. Bonds5

About (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine

(2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine (PubChem CID 171355750) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine
PubChem CID171355750
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name(2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine
SMILESCn1ncc2cc(CN3CCO[C@H](COc4ccc(F)c(F)c4)C3)ccc21
InChIInChI=1S/C20H21F2N3O2/c1-24-20-5-2-14(8-15(20)10-23-24)11-25-6-7-26-17(12-25)13-27-16-3-4-18(21)19(22)9-16/h2-5,8-10,17H,6-7,11-13H2,1H3/t17-/m0/s1
InChIKeyJAKIOOTWQGBKAJ-KRWDZBQOSA-N
XLogP3.13
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,4-dioxan-2-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190228
5-(2-Ethoxyphenyl)-1-(4-fluorophenyl)indazole
CID 46830800
2-ethyl-4-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}morpholine
CID 70728001
(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine
CID 127032086
1-Methyl-5-[[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methyl]indazole
CID 168275381
5-[[4-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]methyl]-1-methylindazole
CID 168296363
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol
CID 90335128
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindazol-5-yl)phenoxy]propan-2-ol
CID 90335162
5-(3-Ethoxyphenyl)-1-(4-fluorophenyl)indazole
CID 46830801
(2R*,6S*)-4-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2,6-dimethylmorpholine
CID 70765080
2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine
CID 3028873
1-[4-(2-Indazol-1-ylethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 20205256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine (CID 171355750) is (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine is Cn1ncc2cc(CN3CCO[C@H](COc4ccc(F)c(F)c4)C3)ccc21.
What is the InChIKey of (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine?
The InChIKey is JAKIOOTWQGBKAJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-24-20-5-2-14(8-15(20)10-23-24)11-25-6-7-26-17(12-25)13-27-16-3-4-18(21)19(22)9-16/h2-5,8-10,17H,6-7,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine?
(2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine has a molecular weight of 373.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine is sourced from PubChem (CID 171355750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).