2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide

C21H21N5O — CID 155965724

IUPAC2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide
SMILESCC(NC(=O)C(N)Cc1[nH]nc2ccccc12)c1cccc2cccnc12
InChIInChI=1S/C21H21N5O/c1-13(15-9-4-6-14-7-5-11-23-20(14)15)24-21(27)17(22)12-19-16-8-2-3-10-18(16)25-26-19/h2-11,13,17H,12,22H2,1H3,(H,24,27)(H,25,26)
InChIKeyXXMCHCAQJUXUKG-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.86
Rot. Bonds5

About 2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide

2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide (PubChem CID 155965724) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide
PubChem CID155965724
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide
SMILESCC(NC(=O)C(N)Cc1[nH]nc2ccccc12)c1cccc2cccnc12
InChIInChI=1S/C21H21N5O/c1-13(15-9-4-6-14-7-5-11-23-20(14)15)24-21(27)17(22)12-19-16-8-2-3-10-18(16)25-26-19/h2-11,13,17H,12,22H2,1H3,(H,24,27)(H,25,26)
InChIKeyXXMCHCAQJUXUKG-UHFFFAOYSA-N
XLogP2.86
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclo-(L-Trp-L-Trp)
CID 7091706
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N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
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1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide?
The IUPAC name of 2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide (CID 155965724) is 2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide.
What is the SMILES notation for 2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide?
The canonical SMILES for 2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide is CC(NC(=O)C(N)Cc1[nH]nc2ccccc12)c1cccc2cccnc12.
What is the InChIKey of 2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide?
The InChIKey is XXMCHCAQJUXUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13(15-9-4-6-14-7-5-11-23-20(14)15)24-21(27)17(22)12-19-16-8-2-3-10-18(16)25-26-19/h2-11,13,17H,12,22H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide?
2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2H-indazol-3-yl)-N-(1-quinolin-8-ylethyl)propanamide is sourced from PubChem (CID 155965724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).