2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

C21H20N4O — CID 135416443

IUPAC2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCC(C)c1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)cc1
InChIInChI=1S/C21H20N4O/c1-14(2)15-7-9-16(10-8-15)23-21-20(17-5-3-4-6-18(17)26)24-19-13-22-11-12-25(19)21/h3-14,23,26H,1-2H3
InChIKeyKUVJPWYFLCPYRZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.97
Rot. Bonds4

About 2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 135416443) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID135416443
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCC(C)c1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)cc1
InChIInChI=1S/C21H20N4O/c1-14(2)15-7-9-16(10-8-15)23-21-20(17-5-3-4-6-18(17)26)24-19-13-22-11-12-25(19)21/h3-14,23,26H,1-2H3
InChIKeyKUVJPWYFLCPYRZ-UHFFFAOYSA-N
XLogP4.97
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (CID 135416443) is 2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is CC(C)c1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)cc1.
What is the InChIKey of 2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is KUVJPWYFLCPYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14(2)15-7-9-16(10-8-15)23-21-20(17-5-3-4-6-18(17)26)24-19-13-22-11-12-25(19)21/h3-14,23,26H,1-2H3.
What are the key properties of 2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 344.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 135416443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).