1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine

C21H16N6O — CID 44538699

IUPAC1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(-c3ccn[nH]3)nc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C21H16N6O/c22-20-19-18(25-21(17-10-11-24-26-17)27(19)13-12-23-20)14-6-8-16(9-7-14)28-15-4-2-1-3-5-15/h1-13H,(H2,22,23)(H,24,26)
InChIKeyCDYYLPATMMDMHH-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.16
Rot. Bonds4

About 1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine

1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 44538699) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID44538699
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(-c3ccn[nH]3)nc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C21H16N6O/c22-20-19-18(25-21(17-10-11-24-26-17)27(19)13-12-23-20)14-6-8-16(9-7-14)28-15-4-2-1-3-5-15/h1-13H,(H2,22,23)(H,24,26)
InChIKeyCDYYLPATMMDMHH-UHFFFAOYSA-N
XLogP4.16
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine (CID 44538699) is 1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(-c3ccn[nH]3)nc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is CDYYLPATMMDMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c22-20-19-18(25-21(17-10-11-24-26-17)27(19)13-12-23-20)14-6-8-16(9-7-14)28-15-4-2-1-3-5-15/h1-13H,(H2,22,23)(H,24,26).
What are the key properties of 1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine?
1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 368.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 44538699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).