4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol

C15H12N6O — CID 135473379

IUPAC4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol
SMILESOc1ccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1
InChIInChI=1S/C15H12N6O/c22-12-3-1-11(2-4-12)20-14-15-17-9-13(10-7-18-19-8-10)21(15)6-5-16-14/h1-9,22H,(H,16,20)(H,18,19)
InChIKeyUQFLAQIMSQDSTM-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.57
Rot. Bonds3

About 4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol

4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol (PubChem CID 135473379) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol.

Molecular Properties

Compound Name4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol
PubChem CID135473379
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol
SMILESOc1ccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1
InChIInChI=1S/C15H12N6O/c22-12-3-1-11(2-4-12)20-14-15-17-9-13(10-7-18-19-8-10)21(15)6-5-16-14/h1-9,22H,(H,16,20)(H,18,19)
InChIKeyUQFLAQIMSQDSTM-UHFFFAOYSA-N
XLogP2.57
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol?
The IUPAC name of 4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol (CID 135473379) is 4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol.
What is the SMILES notation for 4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol?
The canonical SMILES for 4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol is Oc1ccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1.
What is the InChIKey of 4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol?
The InChIKey is UQFLAQIMSQDSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c22-12-3-1-11(2-4-12)20-14-15-17-9-13(10-7-18-19-8-10)21(15)6-5-16-14/h1-9,22H,(H,16,20)(H,18,19).
What are the key properties of 4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol?
4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol has a molecular weight of 292.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenol is sourced from PubChem (CID 135473379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).