3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide

C18H14N6O — CID 67433984

IUPAC3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc3[nH]ncc3c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H14N6O/c19-17-16(18(25)22-13-4-2-1-3-5-13)23-15(10-20-17)11-6-7-14-12(8-11)9-21-24-14/h1-10H,(H2,19,20)(H,21,24)(H,22,25)
InChIKeyJEVJRJZFVDKPLC-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.85
Rot. Bonds3

About 3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide (PubChem CID 67433984) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide
PubChem CID67433984
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc3[nH]ncc3c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H14N6O/c19-17-16(18(25)22-13-4-2-1-3-5-13)23-15(10-20-17)11-6-7-14-12(8-11)9-21-24-14/h1-10H,(H2,19,20)(H,21,24)(H,22,25)
InChIKeyJEVJRJZFVDKPLC-UHFFFAOYSA-N
XLogP2.85
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide (CID 67433984) is 3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccc3[nH]ncc3c2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is JEVJRJZFVDKPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c19-17-16(18(25)22-13-4-2-1-3-5-13)23-15(10-20-17)11-6-7-14-12(8-11)9-21-24-14/h1-10H,(H2,19,20)(H,21,24)(H,22,25).
What are the key properties of 3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1H-indazol-5-yl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 67433984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).