(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine

C26H24N4O — CID 23647005

IUPAC(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cccc5ccccc45)c3)cc12
InChIInChI=1S/C26H24N4O/c1-17-25-13-19(9-10-26(25)30-29-17)21-12-23(15-28-14-21)31-16-22(27)11-20-7-4-6-18-5-2-3-8-24(18)20/h2-10,12-15,22H,11,16,27H2,1H3,(H,29,30)/t22-/m0/s1
InChIKeyOVRDDZHIRBTAAC-QFIPXVFZSA-N
MW408.51 g/mol
LogP5.04
Rot. Bonds6

About (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine

(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine (PubChem CID 23647005) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine
PubChem CID23647005
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cccc5ccccc45)c3)cc12
InChIInChI=1S/C26H24N4O/c1-17-25-13-19(9-10-26(25)30-29-17)21-12-23(15-28-14-21)31-16-22(27)11-20-7-4-6-18-5-2-3-8-24(18)20/h2-10,12-15,22H,11,16,27H2,1H3,(H,29,30)/t22-/m0/s1
InChIKeyOVRDDZHIRBTAAC-QFIPXVFZSA-N
XLogP5.04
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine (CID 23647005) is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cccc5ccccc45)c3)cc12.
What is the InChIKey of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine?
The InChIKey is OVRDDZHIRBTAAC-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H24N4O/c1-17-25-13-19(9-10-26(25)30-29-17)21-12-23(15-28-14-21)31-16-22(27)11-20-7-4-6-18-5-2-3-8-24(18)20/h2-10,12-15,22H,11,16,27H2,1H3,(H,29,30)/t22-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine?
(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine has a molecular weight of 408.51 g/mol, XLogP of 5.04, 6 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)-3-pyridinyl]oxy]-3-naphthalen-1-ylpropan-2-amine is sourced from PubChem (CID 23647005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).