(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine

C28H26N4O — CID 11690618

IUPAC(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccccc3)cc12
InChIInChI=1S/C28H26N4O/c1-19-25-15-22(12-13-27(25)32-31-19)26-16-24(17-30-28(26)21-10-6-3-7-11-21)33-18-23(29)14-20-8-4-2-5-9-20/h2-13,15-17,23H,14,18,29H2,1H3,(H,31,32)/t23-/m0/s1
InChIKeyJWYRAAFPDRMISU-QHCPKHFHSA-N
MW434.54 g/mol
LogP5.55
Rot. Bonds7

About (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine

(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine (PubChem CID 11690618) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine
PubChem CID11690618
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccccc3)cc12
InChIInChI=1S/C28H26N4O/c1-19-25-15-22(12-13-27(25)32-31-19)26-16-24(17-30-28(26)21-10-6-3-7-11-21)33-18-23(29)14-20-8-4-2-5-9-20/h2-13,15-17,23H,14,18,29H2,1H3,(H,31,32)/t23-/m0/s1
InChIKeyJWYRAAFPDRMISU-QHCPKHFHSA-N
XLogP5.55
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine with MolForge

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
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
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine (CID 11690618) is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine is Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccccc3)cc12.
What is the InChIKey of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The InChIKey is JWYRAAFPDRMISU-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H26N4O/c1-19-25-15-22(12-13-27(25)32-31-19)26-16-24(17-30-28(26)21-10-6-3-7-11-21)33-18-23(29)14-20-8-4-2-5-9-20/h2-13,15-17,23H,14,18,29H2,1H3,(H,31,32)/t23-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine has a molecular weight of 434.54 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 11690618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).