4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C25H24N6O2 — CID 135823759

IUPAC4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOc1ccccc1C1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(C)cc2)n1
InChIInChI=1S/C25H24N6O2/c1-4-33-21-8-6-5-7-18(21)19-13-22(32)28-24-23(19)16(3)30-31(24)25-27-20(14-26-29-25)17-11-9-15(2)10-12-17/h5-12,14,19H,4,13H2,1-3H3,(H,28,32)
InChIKeyNNIBJSSEEBOQHK-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.21
Rot. Bonds5

About 4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135823759) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135823759
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOc1ccccc1C1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(C)cc2)n1
InChIInChI=1S/C25H24N6O2/c1-4-33-21-8-6-5-7-18(21)19-13-22(32)28-24-23(19)16(3)30-31(24)25-27-20(14-26-29-25)17-11-9-15(2)10-12-17/h5-12,14,19H,4,13H2,1-3H3,(H,28,32)
InChIKeyNNIBJSSEEBOQHK-UHFFFAOYSA-N
XLogP4.21
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-3-methyl-4-(2-methylphenyl)-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916658
4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594598
4-(2-fluorophenyl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594766
(4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916813
(4S)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916748
(4S)-1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916970
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594646
(4S)-4-(2,5-dimethylphenyl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917150
(4S)-4-(2,5-difluorophenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916726
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594732
(4S)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917238
(4S)-4-(4-hydroxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916697

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135823759) is 4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCOc1ccccc1C1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(C)cc2)n1.
What is the InChIKey of 4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NNIBJSSEEBOQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-4-33-21-8-6-5-7-18(21)19-13-22(32)28-24-23(19)16(3)30-31(24)25-27-20(14-26-29-25)17-11-9-15(2)10-12-17/h5-12,14,19H,4,13H2,1-3H3,(H,28,32).
What are the key properties of 4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 440.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135823759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).