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

C25H24N6O4 — CID 136882982

IUPAC(4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H24N6O4/c1-14-22-17(16-10-19(33-2)23(35-4)20(11-16)34-3)12-21(32)28-24(22)31(30-14)25-27-18(13-26-29-25)15-8-6-5-7-9-15/h5-11,13,17H,12H2,1-4H3,(H,28,32)/t17-/m0/s1
InChIKeyIVSPSRRWVYDKNT-KRWDZBQOSA-N
MW472.51 g/mol
LogP3.53
Rot. Bonds6

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

(4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136882982) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is (4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136882982
Molecular FormulaC25H24N6O4
Molecular Weight472.51 g/mol
Exact Mass472.19
IUPAC Name(4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H24N6O4/c1-14-22-17(16-10-19(33-2)23(35-4)20(11-16)34-3)12-21(32)28-24(22)31(30-14)25-27-18(13-26-29-25)15-8-6-5-7-9-15/h5-11,13,17H,12H2,1-4H3,(H,28,32)/t17-/m0/s1
InChIKeyIVSPSRRWVYDKNT-KRWDZBQOSA-N
XLogP3.53
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

4-(4-methoxy-3-prop-2-ynoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135876823
(4S)-4-(3-methoxy-4-prop-2-ynoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916894
(4S)-4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916788
(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
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
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)-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
(4S)-4-(4-bromophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917109
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-(3-methoxy-4-propoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594747
1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594706
(4R)-4-(3-bromophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917106
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 (4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136882982) is (4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of (4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is IVSPSRRWVYDKNT-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-14-22-17(16-10-19(33-2)23(35-4)20(11-16)34-3)12-21(32)28-24(22)31(30-14)25-27-18(13-26-29-25)15-8-6-5-7-9-15/h5-11,13,17H,12H2,1-4H3,(H,28,32)/t17-/m0/s1.
What are the key properties of (4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 472.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136882982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).