2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide

C20H20N6O2 — CID 11617749

IUPAC2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2cnc(-c3ccc4[nH]nc(N)c4c3)[nH]2)c1
InChIInChI=1S/C20H20N6O2/c1-11(12-4-3-5-14(8-12)28-2)23-20(27)17-10-22-19(24-17)13-6-7-16-15(9-13)18(21)26-25-16/h3-11H,1-2H3,(H,22,24)(H,23,27)(H3,21,25,26)/t11-/m1/s1
InChIKeyZUZHXIOHZAEBNN-LLVKDONJSA-N
MW376.42 g/mol
LogP3.03
Rot. Bonds5

About 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide

2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide (PubChem CID 11617749) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide
PubChem CID11617749
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2cnc(-c3ccc4[nH]nc(N)c4c3)[nH]2)c1
InChIInChI=1S/C20H20N6O2/c1-11(12-4-3-5-14(8-12)28-2)23-20(27)17-10-22-19(24-17)13-6-7-16-15(9-13)18(21)26-25-16/h3-11H,1-2H3,(H,22,24)(H,23,27)(H3,21,25,26)/t11-/m1/s1
InChIKeyZUZHXIOHZAEBNN-LLVKDONJSA-N
XLogP3.03
TPSA121.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 11625034
1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea
CID 74387811
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
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CID 81373217
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CID 65356173
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091971
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
CID 81355155

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide (CID 11617749) is 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide is COc1cccc([C@@H](C)NC(=O)c2cnc(-c3ccc4[nH]nc(N)c4c3)[nH]2)c1.
What is the InChIKey of 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is ZUZHXIOHZAEBNN-LLVKDONJSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-11(12-4-3-5-14(8-12)28-2)23-20(27)17-10-22-19(24-17)13-6-7-16-15(9-13)18(21)26-25-16/h3-11H,1-2H3,(H,22,24)(H,23,27)(H3,21,25,26)/t11-/m1/s1.
What are the key properties of 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide?
2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 11617749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).