(2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride

C20H20ClN5O — CID 154912640

IUPAC(2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride
SMILESCl.N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C20H19N5O.ClH/c21-18(11-14-13-22-19-8-2-1-7-17(14)19)20(26)24-15-5-3-6-16(12-15)25-10-4-9-23-25;/h1-10,12-13,18,22H,11,21H2,(H,24,26);1H/t18-;/m1./s1
InChIKeyHORNWTBJERZTMQ-GMUIIQOCSA-N
MW381.87 g/mol
LogP3.28
Rot. Bonds5

About (2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride

(2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride (PubChem CID 154912640) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride
PubChem CID154912640
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride
SMILESCl.N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C20H19N5O.ClH/c21-18(11-14-13-22-19-8-2-1-7-17(14)19)20(26)24-15-5-3-6-16(12-15)25-10-4-9-23-25;/h1-10,12-13,18,22H,11,21H2,(H,24,26);1H/t18-;/m1./s1
InChIKeyHORNWTBJERZTMQ-GMUIIQOCSA-N
XLogP3.28
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride (CID 154912640) is (2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride is Cl.N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride?
The InChIKey is HORNWTBJERZTMQ-GMUIIQOCSA-N. The full InChI is InChI=1S/C20H19N5O.ClH/c21-18(11-14-13-22-19-8-2-1-7-17(14)19)20(26)24-15-5-3-6-16(12-15)25-10-4-9-23-25;/h1-10,12-13,18,22H,11,21H2,(H,24,26);1H/t18-;/m1./s1.
What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride?
(2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride has a molecular weight of 381.87 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 154912640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).