3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine

C20H22N8 — CID 25192224

IUPAC3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine
SMILESCN1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)cn2)CC1
InChIInChI=1S/C20H22N8/c1-27-8-6-14(7-9-27)28-12-13(10-23-28)17-11-22-19(21)18(24-17)20-25-15-4-2-3-5-16(15)26-20/h2-5,10-12,14H,6-9H2,1H3,(H2,21,22)(H,25,26)
InChIKeyMVRKXURTIJFBPH-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.73
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine

3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine (PubChem CID 25192224) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine
PubChem CID25192224
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine
SMILESCN1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)cn2)CC1
InChIInChI=1S/C20H22N8/c1-27-8-6-14(7-9-27)28-12-13(10-23-28)17-11-22-19(21)18(24-17)20-25-15-4-2-3-5-16(15)26-20/h2-5,10-12,14H,6-9H2,1H3,(H2,21,22)(H,25,26)
InChIKeyMVRKXURTIJFBPH-UHFFFAOYSA-N
XLogP2.73
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine (CID 25192224) is 3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine is CN1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)cn2)CC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?
The InChIKey is MVRKXURTIJFBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-27-8-6-14(7-9-27)28-12-13(10-23-28)17-11-22-19(21)18(24-17)20-25-15-4-2-3-5-16(15)26-20/h2-5,10-12,14H,6-9H2,1H3,(H2,21,22)(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?
3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine has a molecular weight of 374.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 25192224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).