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

C23H25N7O2 — CID 10203035

IUPACN-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C23H25N7O2/c1-15-12-27-22(25-10-9-16-5-3-2-4-6-16)23(32)30(15)14-20(31)26-13-17-7-8-19-18(11-17)21(24)29-28-19/h2-8,11-12H,9-10,13-14H2,1H3,(H,25,27)(H,26,31)(H3,24,28,29)
InChIKeyDKYPVSNRCJTELW-UHFFFAOYSA-N
MW431.50 g/mol
LogP1.98
Rot. Bonds8

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

N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide (PubChem CID 10203035) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
PubChem CID10203035
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC NameN-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C23H25N7O2/c1-15-12-27-22(25-10-9-16-5-3-2-4-6-16)23(32)30(15)14-20(31)26-13-17-7-8-19-18(11-17)21(24)29-28-19/h2-8,11-12H,9-10,13-14H2,1H3,(H,25,27)(H,26,31)(H3,24,28,29)
InChIKeyDKYPVSNRCJTELW-UHFFFAOYSA-N
XLogP1.98
TPSA130.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide (CID 10203035) is N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide is Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1.
What is the InChIKey of N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is DKYPVSNRCJTELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-15-12-27-22(25-10-9-16-5-3-2-4-6-16)23(32)30(15)14-20(31)26-13-17-7-8-19-18(11-17)21(24)29-28-19/h2-8,11-12H,9-10,13-14H2,1H3,(H,25,27)(H,26,31)(H3,24,28,29).
What are the key properties of N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 1.98, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-indazol-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 10203035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).