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

C22H28N4O — CID 23647008

IUPAC(2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)CC4CCCCC4)c3)cc12
InChIInChI=1S/C22H28N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h7-8,10-13,16,19H,2-6,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
InChIKeyNXCVSEMGRNAQQP-IBGZPJMESA-N
MW364.49 g/mol
LogP4.61
Rot. Bonds6

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

(2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 23647008) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID23647008
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)CC4CCCCC4)c3)cc12
InChIInChI=1S/C22H28N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h7-8,10-13,16,19H,2-6,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
InChIKeyNXCVSEMGRNAQQP-IBGZPJMESA-N
XLogP4.61
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 23647008) is (2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)CC4CCCCC4)c3)cc12.
What is the InChIKey of (2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is NXCVSEMGRNAQQP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h7-8,10-13,16,19H,2-6,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1.
What are the key properties of (2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 364.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 23647008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).