3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide

C20H25N7O — CID 70685429

IUPAC3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1nc(-c2cccc3cn[nH]c23)cnc1N)C1CCNCC1
InChIInChI=1S/C20H25N7O/c1-20(2,13-6-8-22-9-7-13)26-19(28)17-18(21)23-11-15(25-17)14-5-3-4-12-10-24-27-16(12)14/h3-5,10-11,13,22H,6-9H2,1-2H3,(H2,21,23)(H,24,27)(H,26,28)
InChIKeyJDQUESPZHKWSCY-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.11
Rot. Bonds4

About 3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide

3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide (PubChem CID 70685429) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
PubChem CID70685429
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1nc(-c2cccc3cn[nH]c23)cnc1N)C1CCNCC1
InChIInChI=1S/C20H25N7O/c1-20(2,13-6-8-22-9-7-13)26-19(28)17-18(21)23-11-15(25-17)14-5-3-4-12-10-24-27-16(12)14/h3-5,10-11,13,22H,6-9H2,1-2H3,(H2,21,23)(H,24,27)(H,26,28)
InChIKeyJDQUESPZHKWSCY-UHFFFAOYSA-N
XLogP2.11
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide (CID 70685429) is 3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide is CC(C)(NC(=O)c1nc(-c2cccc3cn[nH]c23)cnc1N)C1CCNCC1.
What is the InChIKey of 3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
The InChIKey is JDQUESPZHKWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-20(2,13-6-8-22-9-7-13)26-19(28)17-18(21)23-11-15(25-17)14-5-3-4-12-10-24-27-16(12)14/h3-5,10-11,13,22H,6-9H2,1-2H3,(H2,21,23)(H,24,27)(H,26,28).
What are the key properties of 3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide?
3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 70685429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).