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

C28H25N5O2 — CID 69132706

IUPAC(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12
InChIInChI=1S/C28H25N5O2/c1-17-23-12-18(8-9-26(23)33-32-17)24-13-21(15-31-28(24)27-7-4-10-34-27)35-16-20(29)11-19-14-30-25-6-3-2-5-22(19)25/h2-10,12-15,20,30H,11,16,29H2,1H3,(H,32,33)/t20-/m0/s1
InChIKeyDVGFPRNDXQWJIX-FQEVSTJZSA-N
MW463.54 g/mol
LogP5.62
Rot. Bonds7

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

(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 69132706) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
PubChem CID69132706
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12
InChIInChI=1S/C28H25N5O2/c1-17-23-12-18(8-9-26(23)33-32-17)24-13-21(15-31-28(24)27-7-4-10-34-27)35-16-20(29)11-19-14-30-25-6-3-2-5-22(19)25/h2-10,12-15,20,30H,11,16,29H2,1H3,(H,32,33)/t20-/m0/s1
InChIKeyDVGFPRNDXQWJIX-FQEVSTJZSA-N
XLogP5.62
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (CID 69132706) is (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-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-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)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-(1H-indol-3-yl)propan-2-amine?
The InChIKey is DVGFPRNDXQWJIX-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-17-23-12-18(8-9-26(23)33-32-17)24-13-21(15-31-28(24)27-7-4-10-34-27)35-16-20(29)11-19-14-30-25-6-3-2-5-22(19)25/h2-10,12-15,20,30H,11,16,29H2,1H3,(H,32,33)/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-(1H-indol-3-yl)propan-2-amine?
(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 463.54 g/mol, XLogP of 5.62, 7 rotatable bonds, 3 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-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 69132706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).