4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C18H20ClN3O3 — CID 171913579

IUPAC4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCCOc1cc(Cl)c(C2CC(=O)Nc3n[nH]c(C4CC4)c32)cc1OC
InChIInChI=1S/C18H20ClN3O3/c1-3-25-14-8-12(19)10(6-13(14)24-2)11-7-15(23)20-18-16(11)17(21-22-18)9-4-5-9/h6,8-9,11H,3-5,7H2,1-2H3,(H2,20,21,22,23)
InChIKeyBTCRKFDCPFGJPQ-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.82
Rot. Bonds5

About 4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 171913579) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID171913579
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCCOc1cc(Cl)c(C2CC(=O)Nc3n[nH]c(C4CC4)c32)cc1OC
InChIInChI=1S/C18H20ClN3O3/c1-3-25-14-8-12(19)10(6-13(14)24-2)11-7-15(23)20-18-16(11)17(21-22-18)9-4-5-9/h6,8-9,11H,3-5,7H2,1-2H3,(H2,20,21,22,23)
InChIKeyBTCRKFDCPFGJPQ-UHFFFAOYSA-N
XLogP3.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 171907744
4-(3-chloro-4-hydroxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412534
(4R)-4-(2-ethoxy-3-methoxyphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136903269
4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171912336
3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135461961
3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135421243
(4S)-4-(3-methoxy-2-propoxyphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136818131
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
(5R)-2-propylsulfanyl-5-(2,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557228
2-amino-5-(3-chloro-4-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550473
(4S)-4-[2-[(2-chlorophenyl)methoxy]phenyl]-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136903259
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 171913579) is 4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is CCOc1cc(Cl)c(C2CC(=O)Nc3n[nH]c(C4CC4)c32)cc1OC.
What is the InChIKey of 4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is BTCRKFDCPFGJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-3-25-14-8-12(19)10(6-13(14)24-2)11-7-15(23)20-18-16(11)17(21-22-18)9-4-5-9/h6,8-9,11H,3-5,7H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 361.83 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 171913579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).