4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C16H17N3O5 — CID 135636759

IUPAC4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C2CC(=O)Nc3c2cnn3C)c(OC)c2c1OCO2
InChIInChI=1S/C16H17N3O5/c1-19-16-10(6-17-19)8(5-12(20)18-16)9-4-11(21-2)14-15(13(9)22-3)24-7-23-14/h4,6,8H,5,7H2,1-3H3,(H,18,20)
InChIKeyLSHNOCPQPBVPAW-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.64
Rot. Bonds3

About 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135636759) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135636759
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C2CC(=O)Nc3c2cnn3C)c(OC)c2c1OCO2
InChIInChI=1S/C16H17N3O5/c1-19-16-10(6-17-19)8(5-12(20)18-16)9-4-11(21-2)14-15(13(9)22-3)24-7-23-14/h4,6,8H,5,7H2,1-3H3,(H,18,20)
InChIKeyLSHNOCPQPBVPAW-UHFFFAOYSA-N
XLogP1.64
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737756
4-(3-hydroxy-4-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632417
1-methyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632523
1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632705
(4R)-1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887397
2-[2-methoxy-5-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135632346
(4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135897111
4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632655
(4S)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135968794
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135656123
1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632453
1-cyclopentyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632536

Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135636759) is 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cc(C2CC(=O)Nc3c2cnn3C)c(OC)c2c1OCO2.
What is the InChIKey of 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LSHNOCPQPBVPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-19-16-10(6-17-19)8(5-12(20)18-16)9-4-11(21-2)14-15(13(9)22-3)24-7-23-14/h4,6,8H,5,7H2,1-3H3,(H,18,20).
What are the key properties of 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 331.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135636759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).