(2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

C23H23FN4O — CID 16731662

IUPAC(2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1cc(F)ccc1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C23H23FN4O/c1-14-7-19(24)5-3-16(14)8-20(25)13-29-21-9-18(11-26-12-21)17-4-6-23-22(10-17)15(2)27-28-23/h3-7,9-12,20H,8,13,25H2,1-2H3,(H,27,28)/t20-/m0/s1
InChIKeyAMRMQCBFQCECAQ-FQEVSTJZSA-N
MW390.46 g/mol
LogP4.33
Rot. Bonds6

About (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 16731662) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID16731662
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name(2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1cc(F)ccc1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C23H23FN4O/c1-14-7-19(24)5-3-16(14)8-20(25)13-29-21-9-18(11-26-12-21)17-4-6-23-22(10-17)15(2)27-28-23/h3-7,9-12,20H,8,13,25H2,1-2H3,(H,27,28)/t20-/m0/s1
InChIKeyAMRMQCBFQCECAQ-FQEVSTJZSA-N
XLogP4.33
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine 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

A-443654
CID 10172943
Abt-107
CID 11151363
A-674563
CID 11314340
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
5-{5-[(2S)-2-amino-3-(3-iodophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733025
(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
3-Pyridin-4-YL-2,4-dihydro-indeno(1,2-.C.) pyrazole
CID 16122642
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 16731662) is (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1cc(F)ccc1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1.
What is the InChIKey of (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is AMRMQCBFQCECAQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-14-7-19(24)5-3-16(14)8-20(25)13-29-21-9-18(11-26-12-21)17-4-6-23-22(10-17)15(2)27-28-23/h3-7,9-12,20H,8,13,25H2,1-2H3,(H,27,28)/t20-/m0/s1.
What are the key properties of (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 390.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 16731662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).