3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol

C21H24N4O — CID 163767025

IUPAC3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESOc1cccc(-c2cn3cc(C4CC4)nc3c(N3CCCCCC3)n2)c1
InChIInChI=1S/C21H24N4O/c26-17-7-5-6-16(12-17)19-14-25-13-18(15-8-9-15)22-21(25)20(23-19)24-10-3-1-2-4-11-24/h5-7,12-15,26H,1-4,8-11H2
InChIKeyMDENNVMXPYEUPN-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.36
Rot. Bonds3

About 3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol

3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 163767025) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol
PubChem CID163767025
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol
SMILESOc1cccc(-c2cn3cc(C4CC4)nc3c(N3CCCCCC3)n2)c1
InChIInChI=1S/C21H24N4O/c26-17-7-5-6-16(12-17)19-14-25-13-18(15-8-9-15)22-21(25)20(23-19)24-10-3-1-2-4-11-24/h5-7,12-15,26H,1-4,8-11H2
InChIKeyMDENNVMXPYEUPN-UHFFFAOYSA-N
XLogP4.36
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol (CID 163767025) is 3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol is Oc1cccc(-c2cn3cc(C4CC4)nc3c(N3CCCCCC3)n2)c1.
What is the InChIKey of 3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is MDENNVMXPYEUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-17-7-5-6-16(12-17)19-14-25-13-18(15-8-9-15)22-21(25)20(23-19)24-10-3-1-2-4-11-24/h5-7,12-15,26H,1-4,8-11H2.
What are the key properties of 3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol?
3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 348.45 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 163767025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).