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

C28H29N5O3 — CID 136871162

IUPAC(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C28H29N5O3/c1-16-7-6-8-20(11-16)15-36-23-10-9-21(13-24(23)35-5)22-14-25(34)31-27-26(22)19(4)32-33(27)28-29-17(2)12-18(3)30-28/h6-13,22H,14-15H2,1-5H3,(H,31,34)/t22-/m0/s1
InChIKeyLBQPXJSQWMEDSE-QFIPXVFZSA-N
MW483.57 g/mol
LogP4.96
Rot. Bonds6

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

(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136871162) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136871162
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C28H29N5O3/c1-16-7-6-8-20(11-16)15-36-23-10-9-21(13-24(23)35-5)22-14-25(34)31-27-26(22)19(4)32-33(27)28-29-17(2)12-18(3)30-28/h6-13,22H,14-15H2,1-5H3,(H,31,34)/t22-/m0/s1
InChIKeyLBQPXJSQWMEDSE-QFIPXVFZSA-N
XLogP4.96
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135584729
(4R)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871183
(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-(3-methoxy-4-propoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871172
(4R)-1-(1,3-benzothiazol-2-yl)-4-(3-methoxy-4-phenylmethoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871235
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135546803
(4S)-4-(3-methoxy-4-phenylmethoxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136825320
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135893108
4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655976
4-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621021
4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654356
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135546802
4-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654989

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136871162) is (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)ccc1OCc1cccc(C)c1.
What is the InChIKey of (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LBQPXJSQWMEDSE-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-16-7-6-8-20(11-16)15-36-23-10-9-21(13-24(23)35-5)22-14-25(34)31-27-26(22)19(4)32-33(27)28-29-17(2)12-18(3)30-28/h6-13,22H,14-15H2,1-5H3,(H,31,34)/t22-/m0/s1.
What are the key properties of (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 483.57 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136871162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).