(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H21N3O4 — CID 135845482

IUPAC(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C21H21N3O4/c1-12-20-16(13-4-9-17(25)18(10-13)28-3)11-19(26)22-21(20)24(23-12)14-5-7-15(27-2)8-6-14/h4-10,16,25H,11H2,1-3H3,(H,22,26)/t16-/m1/s1
InChIKeyDDFODYFGSBEIEY-MRXNPFEDSA-N
MW379.42 g/mol
LogP3.38
Rot. Bonds4

About (4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135845482) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is (4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135845482
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C21H21N3O4/c1-12-20-16(13-4-9-17(25)18(10-13)28-3)11-19(26)22-21(20)24(23-12)14-5-7-15(27-2)8-6-14/h4-10,16,25H,11H2,1-3H3,(H,22,26)/t16-/m1/s1
InChIKeyDDFODYFGSBEIEY-MRXNPFEDSA-N
XLogP3.38
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135845482) is (4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(O)c(OC)c2)cc1.
What is the InChIKey of (4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DDFODYFGSBEIEY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-12-20-16(13-4-9-17(25)18(10-13)28-3)11-19(26)22-21(20)24(23-12)14-5-7-15(27-2)8-6-14/h4-10,16,25H,11H2,1-3H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 379.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135845482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).