(2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine

C23H24N4O — CID 23647010

IUPAC(2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OCC[C@@H](N)Cc4ccccc4)c3)cc12
InChIInChI=1S/C23H24N4O/c1-16-22-13-18(7-8-23(22)27-26-16)19-12-21(15-25-14-19)28-10-9-20(24)11-17-5-3-2-4-6-17/h2-8,12-15,20H,9-11,24H2,1H3,(H,26,27)/t20-/m1/s1
InChIKeyDWJILNCVVDOHOU-HXUWFJFHSA-N
MW372.47 g/mol
LogP4.27
Rot. Bonds7

About (2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine

(2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine (PubChem CID 23647010) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine.

Molecular Properties

Compound Name(2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine
PubChem CID23647010
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OCC[C@@H](N)Cc4ccccc4)c3)cc12
InChIInChI=1S/C23H24N4O/c1-16-22-13-18(7-8-23(22)27-26-16)19-12-21(15-25-14-19)28-10-9-20(24)11-17-5-3-2-4-6-17/h2-8,12-15,20H,9-11,24H2,1H3,(H,26,27)/t20-/m1/s1
InChIKeyDWJILNCVVDOHOU-HXUWFJFHSA-N
XLogP4.27
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine?
The IUPAC name of (2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine (CID 23647010) is (2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine.
What is the SMILES notation for (2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine?
The canonical SMILES for (2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OCC[C@@H](N)Cc4ccccc4)c3)cc12.
What is the InChIKey of (2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine?
The InChIKey is DWJILNCVVDOHOU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-22-13-18(7-8-23(22)27-26-16)19-12-21(15-25-14-19)28-10-9-20(24)11-17-5-3-2-4-6-17/h2-8,12-15,20H,9-11,24H2,1H3,(H,26,27)/t20-/m1/s1.
What are the key properties of (2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine?
(2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine has a molecular weight of 372.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine is sourced from PubChem (CID 23647010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).