2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine

C28H23N7O — CID 156612775

IUPAC2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine
SMILESCOc1ccc(N2N=C(c3cnccn3)CC2c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C28H23N7O/c1-36-23-9-7-22(8-10-23)35-27(17-25(32-35)26-18-30-15-16-31-26)24-19-34(21-5-3-2-4-6-21)33-28(24)20-11-13-29-14-12-20/h2-16,18-19,27H,17H2,1H3
InChIKeyGVBYINHKFRPYFO-UHFFFAOYSA-N
MW473.54 g/mol
LogP5.09
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine

2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine (PubChem CID 156612775) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine
PubChem CID156612775
Molecular FormulaC28H23N7O
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine
SMILESCOc1ccc(N2N=C(c3cnccn3)CC2c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C28H23N7O/c1-36-23-9-7-22(8-10-23)35-27(17-25(32-35)26-18-30-15-16-31-26)24-19-34(21-5-3-2-4-6-21)33-28(24)20-11-13-29-14-12-20/h2-16,18-19,27H,17H2,1H3
InChIKeyGVBYINHKFRPYFO-UHFFFAOYSA-N
XLogP5.09
TPSA81.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
Dihydropyrrolopyrazole, 7f
CID 21992672
3-[1-[[4-(6-Methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]aniline
CID 155515100
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647443
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
US10034861, Example 165
CID 132273284
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155520839
2-Methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
CID 155544904
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631
2-(4-Fluorophenyl)-7-methoxy-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 9923028

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine?
The IUPAC name of 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine (CID 156612775) is 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine is COc1ccc(N2N=C(c3cnccn3)CC2c2cn(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine?
The InChIKey is GVBYINHKFRPYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c1-36-23-9-7-22(8-10-23)35-27(17-25(32-35)26-18-30-15-16-31-26)24-19-34(21-5-3-2-4-6-21)33-28(24)20-11-13-29-14-12-20/h2-16,18-19,27H,17H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine?
2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine has a molecular weight of 473.54 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine is sourced from PubChem (CID 156612775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).