(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

C22H15ClF2N6O — CID 136917016

IUPAC(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
SMILESCc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1ccc(F)cc1F)CC(=O)N2
InChIInChI=1S/C22H15ClF2N6O/c1-11-20-16(15-7-6-14(24)8-17(15)25)9-19(32)28-21(20)31(30-11)22-27-18(10-26-29-22)12-2-4-13(23)5-3-12/h2-8,10,16H,9H2,1H3,(H,28,32)/t16-/m0/s1
InChIKeyGNRVNVFDKOHNDX-INIZCTEOSA-N
MW452.85 g/mol
LogP4.44
Rot. Bonds3

About (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

(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 (PubChem CID 136917016) has the molecular formula C22H15ClF2N6O and a molecular weight of 452.85 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID136917016
Molecular FormulaC22H15ClF2N6O
Molecular Weight452.85 g/mol
Exact Mass452.10
IUPAC Name(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
SMILESCc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1ccc(F)cc1F)CC(=O)N2
InChIInChI=1S/C22H15ClF2N6O/c1-11-20-16(15-7-6-14(24)8-17(15)25)9-19(32)28-21(20)31(30-11)22-27-18(10-26-29-22)12-2-4-13(23)5-3-12/h2-8,10,16H,9H2,1H3,(H,28,32)/t16-/m0/s1
InChIKeyGNRVNVFDKOHNDX-INIZCTEOSA-N
XLogP4.44
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 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
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)-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
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)-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
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
(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
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-(2,3-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
(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-fluorophenyl)-1,2,4-triazin-3-yl]-4-(3-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917166

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1ccc(F)cc1F)CC(=O)N2.
What is the InChIKey of (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?
The InChIKey is GNRVNVFDKOHNDX-INIZCTEOSA-N. The full InChI is InChI=1S/C22H15ClF2N6O/c1-11-20-16(15-7-6-14(24)8-17(15)25)9-19(32)28-21(20)31(30-11)22-27-18(10-26-29-22)12-2-4-13(23)5-3-12/h2-8,10,16H,9H2,1H3,(H,28,32)/t16-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 452.85 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 136917016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).