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

C26H25N5O — CID 11611566

IUPAC(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccc[nH]3)cc12
InChIInChI=1S/C26H25N5O/c1-17-22-13-19(9-10-24(22)31-30-17)23-14-21(15-29-26(23)25-8-5-11-28-25)32-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20,28H,12,16,27H2,1H3,(H,30,31)/t20-/m0/s1
InChIKeyAXVBNZXUWYSIES-FQEVSTJZSA-N
MW423.52 g/mol
LogP4.88
Rot. Bonds7

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

(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine (PubChem CID 11611566) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
PubChem CID11611566
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccc[nH]3)cc12
InChIInChI=1S/C26H25N5O/c1-17-22-13-19(9-10-24(22)31-30-17)23-14-21(15-29-26(23)25-8-5-11-28-25)32-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20,28H,12,16,27H2,1H3,(H,30,31)/t20-/m0/s1
InChIKeyAXVBNZXUWYSIES-FQEVSTJZSA-N
XLogP4.88
TPSA92.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
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3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
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3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine (CID 11611566) is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine is Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccc[nH]3)cc12.
What is the InChIKey of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The InChIKey is AXVBNZXUWYSIES-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H25N5O/c1-17-22-13-19(9-10-24(22)31-30-17)23-14-21(15-29-26(23)25-8-5-11-28-25)32-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20,28H,12,16,27H2,1H3,(H,30,31)/t20-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine has a molecular weight of 423.52 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 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)-6-(1H-pyrrol-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 11611566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).