N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide

C23H24N6O2 — CID 10158859

IUPACN-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)25-13-18-7-8-20-19(11-18)14-27-28-20/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,24,26)(H,25,30)(H,27,28)
InChIKeyKWUDTLPFKQCAHC-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.40
Rot. Bonds8

About N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide

N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide (PubChem CID 10158859) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
PubChem CID10158859
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)25-13-18-7-8-20-19(11-18)14-27-28-20/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,24,26)(H,25,30)(H,27,28)
InChIKeyKWUDTLPFKQCAHC-UHFFFAOYSA-N
XLogP2.40
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide (CID 10158859) is N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide is Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is KWUDTLPFKQCAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)25-13-18-7-8-20-19(11-18)14-27-28-20/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,24,26)(H,25,30)(H,27,28).
What are the key properties of N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 416.49 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 10158859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).