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

C14H12ClN3O3 — CID 136737756

IUPAC(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c1NC(=O)C[C@H]2c1cc2c(cc1Cl)OCO2
InChIInChI=1S/C14H12ClN3O3/c1-18-14-9(5-16-18)7(3-13(19)17-14)8-2-11-12(4-10(8)15)21-6-20-11/h2,4-5,7H,3,6H2,1H3,(H,17,19)/t7-/m0/s1
InChIKeySQPLHKRDLHJUTK-ZETCQYMHSA-N
MW305.72 g/mol
LogP2.28
Rot. Bonds1

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

(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136737756) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is (4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136737756
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c1NC(=O)C[C@H]2c1cc2c(cc1Cl)OCO2
InChIInChI=1S/C14H12ClN3O3/c1-18-14-9(5-16-18)7(3-13(19)17-14)8-2-11-12(4-10(8)15)21-6-20-11/h2,4-5,7H,3,6H2,1H3,(H,17,19)/t7-/m0/s1
InChIKeySQPLHKRDLHJUTK-ZETCQYMHSA-N
XLogP2.28
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632846
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135636759
(4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dichlorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135932968
1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171911372
1-methyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632523
1-methyl-4-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632453
(4S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887288
4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid
CID 171338688
4-(3-hydroxy-4-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632417
1-methyl-4-(2-phenyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412587
1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one
CID 137243996
benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 2879876

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136737756) is (4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1ncc2c1NC(=O)C[C@H]2c1cc2c(cc1Cl)OCO2.
What is the InChIKey of (4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is SQPLHKRDLHJUTK-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-18-14-9(5-16-18)7(3-13(19)17-14)8-2-11-12(4-10(8)15)21-6-20-11/h2,4-5,7H,3,6H2,1H3,(H,17,19)/t7-/m0/s1.
What are the key properties of (4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 305.72 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136737756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).