3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C14H15ClN4O3 — CID 135421243

IUPAC3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1ccc(C2CC(=O)Nc3n[nH]c(N)c32)c(Cl)c1OC
InChIInChI=1S/C14H15ClN4O3/c1-21-8-4-3-6(11(15)12(8)22-2)7-5-9(20)17-14-10(7)13(16)18-19-14/h3-4,7H,5H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyFYEHLHLHJGYZKQ-UHFFFAOYSA-N
MW322.75 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 135421243) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID135421243
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1ccc(C2CC(=O)Nc3n[nH]c(N)c32)c(Cl)c1OC
InChIInChI=1S/C14H15ClN4O3/c1-21-8-4-3-6(11(15)12(8)22-2)7-5-9(20)17-14-10(7)13(16)18-19-14/h3-4,7H,5H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyFYEHLHLHJGYZKQ-UHFFFAOYSA-N
XLogP2.14
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

(4R)-4-(2-ethoxy-3-methoxyphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136903269
(4S)-4-(3-methoxy-2-propoxyphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136818131
3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137273151
4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one
CID 66106794
(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556453
2-phenyl-5-(2,3,4-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652236
2-prop-2-ynylsulfanyl-5-(2,3,4-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135477090
(4S)-3-anilino-4-(3,4,5-trimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135931021
(5S)-2-amino-5-(2,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557373
(5R)-2-prop-2-enylsulfanyl-5-(2,3,4-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557252
2-prop-2-enylsulfanyl-5-(2,3,4-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135477089
4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913579

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 135421243) is 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is COc1ccc(C2CC(=O)Nc3n[nH]c(N)c32)c(Cl)c1OC.
What is the InChIKey of 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is FYEHLHLHJGYZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-21-8-4-3-6(11(15)12(8)22-2)7-5-9(20)17-14-10(7)13(16)18-19-14/h3-4,7H,5H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 322.75 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135421243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).