(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

C24H21FN6O — CID 136917150

IUPAC(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
SMILESCc1ccc(C)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C24H21FN6O/c1-13-4-5-14(2)18(10-13)19-11-21(32)28-23-22(19)15(3)30-31(23)24-27-20(12-26-29-24)16-6-8-17(25)9-7-16/h4-10,12,19H,11H2,1-3H3,(H,28,32)/t19-/m0/s1
InChIKeyOAWRXCAQIMXKCD-IBGZPJMESA-N
MW428.47 g/mol
LogP4.26
Rot. Bonds3

About (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

(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 (PubChem CID 136917150) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID136917150
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name(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
SMILESCc1ccc(C)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C24H21FN6O/c1-13-4-5-14(2)18(10-13)19-11-21(32)28-23-22(19)15(3)30-31(23)24-27-20(12-26-29-24)16-6-8-17(25)9-7-16/h4-10,12,19H,11H2,1-3H3,(H,28,32)/t19-/m0/s1
InChIKeyOAWRXCAQIMXKCD-IBGZPJMESA-N
XLogP4.26
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(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
(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-(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
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
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
(4R)-4-(2,5-difluorophenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916827
4-(2,5-difluorophenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594574
(4R)-4-(4-bromophenyl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917209
(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
(4R)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916705

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(C)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of (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?
The InChIKey is OAWRXCAQIMXKCD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21FN6O/c1-13-4-5-14(2)18(10-13)19-11-21(32)28-23-22(19)15(3)30-31(23)24-27-20(12-26-29-24)16-6-8-17(25)9-7-16/h4-10,12,19H,11H2,1-3H3,(H,28,32)/t19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 428.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 136917150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).