2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine

C25H24N4 — CID 53333654

IUPAC2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccc(-c2cc3c(N4CC=C(c5ccccc5)CC4)nccn3n2)c(C)c1
InChIInChI=1S/C25H24N4/c1-18-8-9-22(19(2)16-18)23-17-24-25(26-12-15-29(24)27-23)28-13-10-21(11-14-28)20-6-4-3-5-7-20/h3-10,12,15-17H,11,13-14H2,1-2H3
InChIKeyRVBOTDIEUKEXNL-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.31
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine

2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 53333654) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine
PubChem CID53333654
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccc(-c2cc3c(N4CC=C(c5ccccc5)CC4)nccn3n2)c(C)c1
InChIInChI=1S/C25H24N4/c1-18-8-9-22(19(2)16-18)23-17-24-25(26-12-15-29(24)27-23)28-13-10-21(11-14-28)20-6-4-3-5-7-20/h3-10,12,15-17H,11,13-14H2,1-2H3
InChIKeyRVBOTDIEUKEXNL-UHFFFAOYSA-N
XLogP5.31
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine (CID 53333654) is 2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine is Cc1ccc(-c2cc3c(N4CC=C(c5ccccc5)CC4)nccn3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is RVBOTDIEUKEXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-18-8-9-22(19(2)16-18)23-17-24-25(26-12-15-29(24)27-23)28-13-10-21(11-14-28)20-6-4-3-5-7-20/h3-10,12,15-17H,11,13-14H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine?
2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 380.50 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).