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

C23H24N4O — CID 11516274

IUPAC(2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESCc1ncc(OC[C@@H](N)Cc2ccccc2)cc1-c1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C23H24N4O/c1-15-21(18-8-9-23-22(11-18)16(2)26-27-23)12-20(13-25-15)28-14-19(24)10-17-6-4-3-5-7-17/h3-9,11-13,19H,10,14,24H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyHXERGFWUPJVKMJ-IBGZPJMESA-N
MW372.47 g/mol
LogP4.19
Rot. Bonds6

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

(2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine (PubChem CID 11516274) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
PubChem CID11516274
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESCc1ncc(OC[C@@H](N)Cc2ccccc2)cc1-c1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C23H24N4O/c1-15-21(18-8-9-23-22(11-18)16(2)26-27-23)12-20(13-25-15)28-14-19(24)10-17-6-4-3-5-7-17/h3-9,11-13,19H,10,14,24H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyHXERGFWUPJVKMJ-IBGZPJMESA-N
XLogP4.19
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine (CID 11516274) is (2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine is Cc1ncc(OC[C@@H](N)Cc2ccccc2)cc1-c1ccc2n[nH]c(C)c2c1.
What is the InChIKey of (2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The InChIKey is HXERGFWUPJVKMJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N4O/c1-15-21(18-8-9-23-22(11-18)16(2)26-27-23)12-20(13-25-15)28-14-19(24)10-17-6-4-3-5-7-17/h3-9,11-13,19H,10,14,24H2,1-2H3,(H,26,27)/t19-/m0/s1.
What are the key properties of (2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
(2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine has a molecular weight of 372.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[6-methyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 11516274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).