3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C21H18N6O — CID 58879989

IUPAC3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESC1=C(c2cnc3c(Nc4ccc(Oc5ccccc5)cc4)nccn23)CNN1
InChIInChI=1S/C21H18N6O/c1-2-4-17(5-3-1)28-18-8-6-16(7-9-18)26-20-21-23-14-19(15-12-24-25-13-15)27(21)11-10-22-20/h1-12,14,24-25H,13H2,(H,22,26)
InChIKeyUMWGSPPFNFQZCW-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.71
Rot. Bonds5

About 3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 58879989) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID58879989
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESC1=C(c2cnc3c(Nc4ccc(Oc5ccccc5)cc4)nccn23)CNN1
InChIInChI=1S/C21H18N6O/c1-2-4-17(5-3-1)28-18-8-6-16(7-9-18)26-20-21-23-14-19(15-12-24-25-13-15)27(21)11-10-22-20/h1-12,14,24-25H,13H2,(H,22,26)
InChIKeyUMWGSPPFNFQZCW-UHFFFAOYSA-N
XLogP3.71
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 58879989) is 3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is C1=C(c2cnc3c(Nc4ccc(Oc5ccccc5)cc4)nccn23)CNN1.
What is the InChIKey of 3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is UMWGSPPFNFQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-2-4-17(5-3-1)28-18-8-6-16(7-9-18)26-20-21-23-14-19(15-12-24-25-13-15)27(21)11-10-22-20/h1-12,14,24-25H,13H2,(H,22,26).
What are the key properties of 3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 370.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-pyrazol-4-yl)-N-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 58879989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).