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

C26H24N4O2 — CID 11633229

IUPAC(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccco3)cc12
InChIInChI=1S/C26H24N4O2/c1-17-22-13-19(9-10-24(22)30-29-17)23-14-21(15-28-26(23)25-8-5-11-31-25)32-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20H,12,16,27H2,1H3,(H,29,30)/t20-/m0/s1
InChIKeyBMZLSZWHTJZVBV-FQEVSTJZSA-N
MW424.50 g/mol
LogP5.14
Rot. Bonds7

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

(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine (PubChem CID 11633229) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
PubChem CID11633229
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccco3)cc12
InChIInChI=1S/C26H24N4O2/c1-17-22-13-19(9-10-24(22)30-29-17)23-14-21(15-28-26(23)25-8-5-11-31-25)32-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20H,12,16,27H2,1H3,(H,29,30)/t20-/m0/s1
InChIKeyBMZLSZWHTJZVBV-FQEVSTJZSA-N
XLogP5.14
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

A-443654
CID 10172943
A-674563
CID 11314340
(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
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464
5-{5-[(2S)-2-amino-3-[2-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731503
5-{5-[(2S)-2-amino-3-(5-fluoro-2-methoxyphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733397
5-{5-[(2S)-2-amino-3-cyclohexylpropoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647008
5-{5-[(2S)-2-amino-2-phenylethoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647009
5-(5-{[(4R)-4-amino-5-phenylpentyl]oxy}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647011
5-{5-[(2R)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647015
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-2-yl)pyridin-3-yl}isoquinoline
CID 23647572
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(furan-2-yl)isoquinoline
CID 23647585

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine (CID 11633229) is (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine is Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccco3)cc12.
What is the InChIKey of (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The InChIKey is BMZLSZWHTJZVBV-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17-22-13-19(9-10-24(22)30-29-17)23-14-21(15-28-26(23)25-8-5-11-31-25)32-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20H,12,16,27H2,1H3,(H,29,30)/t20-/m0/s1.
What are the key properties of (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine has a molecular weight of 424.50 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 11633229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).