6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole

C21H22N6 — CID 110110865

IUPAC6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole
SMILESc1c[nH]c(-c2nccnc2C2CCN(Cc3ccc4cc[nH]c4c3)CC2)n1
InChIInChI=1S/C21H22N6/c1-2-16-3-6-22-18(16)13-15(1)14-27-11-4-17(5-12-27)19-20(24-8-7-23-19)21-25-9-10-26-21/h1-3,6-10,13,17,22H,4-5,11-12,14H2,(H,25,26)
InChIKeyHGOWALXCFHBYME-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.73
Rot. Bonds4

About 6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole

6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole (PubChem CID 110110865) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole
PubChem CID110110865
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole
SMILESc1c[nH]c(-c2nccnc2C2CCN(Cc3ccc4cc[nH]c4c3)CC2)n1
InChIInChI=1S/C21H22N6/c1-2-16-3-6-22-18(16)13-15(1)14-27-11-4-17(5-12-27)19-20(24-8-7-23-19)21-25-9-10-26-21/h1-3,6-10,13,17,22H,4-5,11-12,14H2,(H,25,26)
InChIKeyHGOWALXCFHBYME-UHFFFAOYSA-N
XLogP3.73
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole (CID 110110865) is 6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole is c1c[nH]c(-c2nccnc2C2CCN(Cc3ccc4cc[nH]c4c3)CC2)n1.
What is the InChIKey of 6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole?
The InChIKey is HGOWALXCFHBYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-2-16-3-6-22-18(16)13-15(1)14-27-11-4-17(5-12-27)19-20(24-8-7-23-19)21-25-9-10-26-21/h1-3,6-10,13,17,22H,4-5,11-12,14H2,(H,25,26).
What are the key properties of 6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole?
6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole has a molecular weight of 358.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 110110865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).