3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride

C20H25ClN4O — CID 119756807

IUPAC3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc2cnn(C(C)C)c2c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-13(2)24-18-11-17(10-9-16(18)12-22-24)23-20(25)14(3)19(21)15-7-5-4-6-8-15;/h4-14,19H,21H2,1-3H3,(H,23,25);1H
InChIKeyBOFNPYBCWZIIPL-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.31
Rot. Bonds5

About 3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride

3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride (PubChem CID 119756807) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride
PubChem CID119756807
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc2cnn(C(C)C)c2c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-13(2)24-18-11-17(10-9-16(18)12-22-24)23-20(25)14(3)19(21)15-7-5-4-6-8-15;/h4-14,19H,21H2,1-3H3,(H,23,25);1H
InChIKeyBOFNPYBCWZIIPL-UHFFFAOYSA-N
XLogP4.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
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3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
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3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119678167
3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
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3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
2-(2-aminoethyl)-N-(1-propan-2-ylindazol-6-yl)-1,3-thiazole-4-carboxamide
CID 120626736
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide
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3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methyl-3-phenylpropanamide;hydrochloride
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N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride (CID 119756807) is 3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride is CC(C(=O)Nc1ccc2cnn(C(C)C)c2c1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride?
The InChIKey is BOFNPYBCWZIIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.ClH/c1-13(2)24-18-11-17(10-9-16(18)12-22-24)23-20(25)14(3)19(21)15-7-5-4-6-8-15;/h4-14,19H,21H2,1-3H3,(H,23,25);1H.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride?
3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-(1-propan-2-ylindazol-6-yl)propanamide;hydrochloride is sourced from PubChem (CID 119756807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).