3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C24H24N6O2 — CID 123487819

IUPAC3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC=CC(=CC=C(C)C)COc1cnc(-c2c(-c3ccncc3)nn3c2C(=O)NCC3)cn1
InChIInChI=1S/C24H24N6O2/c1-4-17(6-5-16(2)3)15-32-20-14-27-19(13-28-20)21-22(18-7-9-25-10-8-18)29-30-12-11-26-24(31)23(21)30/h4-10,13-14H,1,11-12,15H2,2-3H3,(H,26,31)
InChIKeyWOFZXNPUNGQNAG-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.60
Rot. Bonds7

About 3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123487819) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID123487819
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC=CC(=CC=C(C)C)COc1cnc(-c2c(-c3ccncc3)nn3c2C(=O)NCC3)cn1
InChIInChI=1S/C24H24N6O2/c1-4-17(6-5-16(2)3)15-32-20-14-27-19(13-28-20)21-22(18-7-9-25-10-8-18)29-30-12-11-26-24(31)23(21)30/h4-10,13-14H,1,11-12,15H2,2-3H3,(H,26,31)
InChIKeyWOFZXNPUNGQNAG-UHFFFAOYSA-N
XLogP3.60
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]-2-(4-propan-2-ylphenyl)acetamide
CID 118408251
3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium
CID 162596298
3-[4-(3-phenylprop-2-ynoxy)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118408153
3-[4-[(3-methoxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118408431
2-chloro-4-[[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]methyl]benzonitrile
CID 118408082
3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118408188
3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235466
2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235450
1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 170328188
N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide
CID 163235614
3-bromo-2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 126455423
2-[4-oxo-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid
CID 129257861

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 123487819) is 3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C=CC(=CC=C(C)C)COc1cnc(-c2c(-c3ccncc3)nn3c2C(=O)NCC3)cn1.
What is the InChIKey of 3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WOFZXNPUNGQNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-4-17(6-5-16(2)3)15-32-20-14-27-19(13-28-20)21-22(18-7-9-25-10-8-18)29-30-12-11-26-24(31)23(21)30/h4-10,13-14H,1,11-12,15H2,2-3H3,(H,26,31).
What are the key properties of 3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 428.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123487819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).