2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol

C22H26N4O2 — CID 135966044

IUPAC2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol
SMILESCCCC(Nc1cncc(-c2ccc(O)c(OC(C)C)c2)n1)c1cccnc1
InChIInChI=1S/C22H26N4O2/c1-4-6-18(17-7-5-10-23-12-17)25-22-14-24-13-19(26-22)16-8-9-20(27)21(11-16)28-15(2)3/h5,7-15,18,27H,4,6H2,1-3H3,(H,25,26)
InChIKeyNHKSOCIZPLQPON-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.98
Rot. Bonds8

About 2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol

2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol (PubChem CID 135966044) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol
PubChem CID135966044
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol
SMILESCCCC(Nc1cncc(-c2ccc(O)c(OC(C)C)c2)n1)c1cccnc1
InChIInChI=1S/C22H26N4O2/c1-4-6-18(17-7-5-10-23-12-17)25-22-14-24-13-19(26-22)16-8-9-20(27)21(11-16)28-15(2)3/h5,7-15,18,27H,4,6H2,1-3H3,(H,25,26)
InChIKeyNHKSOCIZPLQPON-UHFFFAOYSA-N
XLogP4.98
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
The IUPAC name of 2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol (CID 135966044) is 2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol.
What is the SMILES notation for 2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
The canonical SMILES for 2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol is CCCC(Nc1cncc(-c2ccc(O)c(OC(C)C)c2)n1)c1cccnc1.
What is the InChIKey of 2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
The InChIKey is NHKSOCIZPLQPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-6-18(17-7-5-10-23-12-17)25-22-14-24-13-19(26-22)16-8-9-20(27)21(11-16)28-15(2)3/h5,7-15,18,27H,4,6H2,1-3H3,(H,25,26).
What are the key properties of 2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol?
2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol has a molecular weight of 378.48 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenol is sourced from PubChem (CID 135966044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).