[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen

C21H27N7O2 — CID 162039764

About [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen

[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen (PubChem CID 162039764) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen.

Molecular Properties

• Compound Name: [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen
• PubChem CID: 162039764
• Molecular Formula: C21H27N7O2
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.22
• IUPAC Name: [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen
• SMILES: Nc1ncc(C2=CCN(C(=O)N3CCOCC3)CC2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H]
• InChI: InChI=1S/C21H23N7O2.2H2/c22-19-18(20-25-15-3-1-2-4-16(15)26-20)24-17(13-23-19)14-5-7-27(8-6-14)21(29)28-9-11-30-12-10-28;;/h1-5,13H,6-12H2,(H2,22,23)(H,25,26);2*1H
• InChIKey: YXCQTVSJRVLTDF-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 113.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen?

The IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen (CID 162039764) is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen.

What is the SMILES notation for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen?

The canonical SMILES for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen is Nc1ncc(C2=CCN(C(=O)N3CCOCC3)CC2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].

What is the InChIKey of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen?

The InChIKey is YXCQTVSJRVLTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2.2H2/c22-19-18(20-25-15-3-1-2-4-16(15)26-20)24-17(13-23-19)14-5-7-27(8-6-14)21(29)28-9-11-30-12-10-28;;/h1-5,13H,6-12H2,(H2,22,23)(H,25,26);2*1H.

What are the key properties of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen?

[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen has a molecular weight of 409.49 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen is sourced from PubChem (CID 162039764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).