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

C25H23N5O — CID 23647007

IUPAC(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cnc5ccccc5c4)c3)cc12
InChIInChI=1S/C25H23N5O/c1-16-23-11-18(6-7-25(23)30-29-16)20-10-22(14-27-13-20)31-15-21(26)9-17-8-19-4-2-3-5-24(19)28-12-17/h2-8,10-14,21H,9,15,26H2,1H3,(H,29,30)/t21-/m0/s1
InChIKeyNRBLWRZCVUTONX-NRFANRHFSA-N
MW409.49 g/mol
LogP4.43
Rot. Bonds6

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

(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine (PubChem CID 23647007) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine
PubChem CID23647007
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cnc5ccccc5c4)c3)cc12
InChIInChI=1S/C25H23N5O/c1-16-23-11-18(6-7-25(23)30-29-16)20-10-22(14-27-13-20)31-15-21(26)9-17-8-19-4-2-3-5-24(19)28-12-17/h2-8,10-14,21H,9,15,26H2,1H3,(H,29,30)/t21-/m0/s1
InChIKeyNRBLWRZCVUTONX-NRFANRHFSA-N
XLogP4.43
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-quinolin-3-ylpropan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine (CID 23647007) is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cnc5ccccc5c4)c3)cc12.
What is the InChIKey of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine?
The InChIKey is NRBLWRZCVUTONX-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23N5O/c1-16-23-11-18(6-7-25(23)30-29-16)20-10-22(14-27-13-20)31-15-21(26)9-17-8-19-4-2-3-5-24(19)28-12-17/h2-8,10-14,21H,9,15,26H2,1H3,(H,29,30)/t21-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine?
(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-quinolin-3-ylpropan-2-amine has a molecular weight of 409.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-quinolin-3-ylpropan-2-amine is sourced from PubChem (CID 23647007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).