3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol

C22H21N3O — CID 91373861

IUPAC3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol
SMILESCC(C)c1ccc(Nc2nccn3c(-c4cccc(O)c4)ccc23)cc1
InChIInChI=1S/C22H21N3O/c1-15(2)16-6-8-18(9-7-16)24-22-21-11-10-20(25(21)13-12-23-22)17-4-3-5-19(26)14-17/h3-15,26H,1-2H3,(H,23,24)
InChIKeyWDSHCDJSVQQTLA-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.57
Rot. Bonds4

About 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol

3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 91373861) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol
PubChem CID91373861
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol
SMILESCC(C)c1ccc(Nc2nccn3c(-c4cccc(O)c4)ccc23)cc1
InChIInChI=1S/C22H21N3O/c1-15(2)16-6-8-18(9-7-16)24-22-21-11-10-20(25(21)13-12-23-22)17-4-3-5-19(26)14-17/h3-15,26H,1-2H3,(H,23,24)
InChIKeyWDSHCDJSVQQTLA-UHFFFAOYSA-N
XLogP5.57
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol (CID 91373861) is 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol is CC(C)c1ccc(Nc2nccn3c(-c4cccc(O)c4)ccc23)cc1.
What is the InChIKey of 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is WDSHCDJSVQQTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15(2)16-6-8-18(9-7-16)24-22-21-11-10-20(25(21)13-12-23-22)17-4-3-5-19(26)14-17/h3-15,26H,1-2H3,(H,23,24).
What are the key properties of 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol?
3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 343.43 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-propan-2-ylanilino)pyrrolo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 91373861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).