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

C23H19ClN6O — CID 135594646

IUPAC1-[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
SMILESCc1ccccc1C1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H19ClN6O/c1-13-5-3-4-6-17(13)18-11-20(31)27-22-21(18)14(2)29-30(22)23-26-19(12-25-28-23)15-7-9-16(24)10-8-15/h3-10,12,18H,11H2,1-2H3,(H,27,31)
InChIKeyMRYKFTZSNWTETB-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.47
Rot. Bonds3

About 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

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 (PubChem CID 135594646) has the molecular formula C23H19ClN6O and a molecular weight of 430.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID135594646
Molecular FormulaC23H19ClN6O
Molecular Weight430.90 g/mol
Exact Mass430.13
IUPAC Name1-[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
SMILESCc1ccccc1C1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H19ClN6O/c1-13-5-3-4-6-17(13)18-11-20(31)27-22-21(18)14(2)29-30(22)23-26-19(12-25-28-23)15-7-9-16(24)10-8-15/h3-10,12,18H,11H2,1-2H3,(H,27,31)
InChIKeyMRYKFTZSNWTETB-UHFFFAOYSA-N
XLogP4.47
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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-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-chlorophenyl)-1,2,4-triazin-3-yl]-4-(2,4-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917016
(4S)-1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917025
(4R)-4-(2,3-difluorophenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916938
(4S)-4-(3-chlorophenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916950
(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
(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
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
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
4-(4-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 135594774

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1C1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 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?
The InChIKey is MRYKFTZSNWTETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O/c1-13-5-3-4-6-17(13)18-11-20(31)27-22-21(18)14(2)29-30(22)23-26-19(12-25-28-23)15-7-9-16(24)10-8-15/h3-10,12,18H,11H2,1-2H3,(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 430.90 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135594646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).