3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide

C22H24N6O2 — CID 70683336

IUPAC3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc3cn[nH]c3c2)nc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C22H24N6O2/c23-20-19(26-17(10-24-20)12-1-2-13-9-25-28-16(13)5-12)21(29)27-18-14-3-11-4-15(18)8-22(30,6-11)7-14/h1-2,5,9-11,14-15,18,30H,3-4,6-8H2,(H2,23,24)(H,25,28)(H,27,29)
InChIKeyYBXBVWCDUVCWNB-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.27
Rot. Bonds3

About 3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide

3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide (PubChem CID 70683336) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide
PubChem CID70683336
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc3cn[nH]c3c2)nc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C22H24N6O2/c23-20-19(26-17(10-24-20)12-1-2-13-9-25-28-16(13)5-12)21(29)27-18-14-3-11-4-15(18)8-22(30,6-11)7-14/h1-2,5,9-11,14-15,18,30H,3-4,6-8H2,(H2,23,24)(H,25,28)(H,27,29)
InChIKeyYBXBVWCDUVCWNB-UHFFFAOYSA-N
XLogP2.27
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide (CID 70683336) is 3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide is Nc1ncc(-c2ccc3cn[nH]c3c2)nc1C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide?
The InChIKey is YBXBVWCDUVCWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c23-20-19(26-17(10-24-20)12-1-2-13-9-25-28-16(13)5-12)21(29)27-18-14-3-11-4-15(18)8-22(30,6-11)7-14/h1-2,5,9-11,14-15,18,30H,3-4,6-8H2,(H2,23,24)(H,25,28)(H,27,29).
What are the key properties of 3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide?
3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.27, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxy-2-adamantyl)-6-(1H-indazol-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 70683336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).