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

C22H26N8 — CID 25192363

IUPAC3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine
SMILESCCn1c(-c2nc(-c3cnn(C4CCN(C)CC4)c3)cnc2N)nc2ccccc21
InChIInChI=1S/C22H26N8/c1-3-29-19-7-5-4-6-17(19)27-22(29)20-21(23)24-13-18(26-20)15-12-25-30(14-15)16-8-10-28(2)11-9-16/h4-7,12-14,16H,3,8-11H2,1-2H3,(H2,23,24)
InChIKeyWVTZAXXUQNHGQF-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.23
Rot. Bonds4

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

3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine (PubChem CID 25192363) has the molecular formula C22H26N8 and a molecular weight of 402.51 g/mol. Its IUPAC name is 3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine
PubChem CID25192363
Molecular FormulaC22H26N8
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine
SMILESCCn1c(-c2nc(-c3cnn(C4CCN(C)CC4)c3)cnc2N)nc2ccccc21
InChIInChI=1S/C22H26N8/c1-3-29-19-7-5-4-6-17(19)27-22(29)20-21(23)24-13-18(26-20)15-12-25-30(14-15)16-8-10-28(2)11-9-16/h4-7,12-14,16H,3,8-11H2,1-2H3,(H2,23,24)
InChIKeyWVTZAXXUQNHGQF-UHFFFAOYSA-N
XLogP3.23
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?
The IUPAC name of 3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine (CID 25192363) is 3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine.
What is the SMILES notation for 3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine is CCn1c(-c2nc(-c3cnn(C4CCN(C)CC4)c3)cnc2N)nc2ccccc21.
What is the InChIKey of 3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?
The InChIKey is WVTZAXXUQNHGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8/c1-3-29-19-7-5-4-6-17(19)27-22(29)20-21(23)24-13-18(26-20)15-12-25-30(14-15)16-8-10-28(2)11-9-16/h4-7,12-14,16H,3,8-11H2,1-2H3,(H2,23,24).
What are the key properties of 3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine?
3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine has a molecular weight of 402.51 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylbenzimidazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 25192363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).