4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide

C17H19ClN4O4 — CID 171907744

IUPAC4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCCOc1cc(C2CC(=O)Nc3n[nH]c(C(=O)NC)c32)c(Cl)cc1OC
InChIInChI=1S/C17H19ClN4O4/c1-4-26-12-5-8(10(18)7-11(12)25-3)9-6-13(23)20-16-14(9)15(21-22-16)17(24)19-2/h5,7,9H,4,6H2,1-3H3,(H,19,24)(H2,20,21,22,23)
InChIKeyCWGGGKPSLSZBKP-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.30
Rot. Bonds5

About 4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide

4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 171907744) has the molecular formula C17H19ClN4O4 and a molecular weight of 378.82 g/mol. Its IUPAC name is 4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID171907744
Molecular FormulaC17H19ClN4O4
Molecular Weight378.82 g/mol
Exact Mass378.11
IUPAC Name4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCCOc1cc(C2CC(=O)Nc3n[nH]c(C(=O)NC)c32)c(Cl)cc1OC
InChIInChI=1S/C17H19ClN4O4/c1-4-26-12-5-8(10(18)7-11(12)25-3)9-6-13(23)20-16-14(9)15(21-22-16)17(24)19-2/h5,7,9H,4,6H2,1-3H3,(H,19,24)(H2,20,21,22,23)
InChIKeyCWGGGKPSLSZBKP-UHFFFAOYSA-N
XLogP2.30
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913579
N-methyl-4-(2-methylpyrimidin-5-yl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 169421239
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136737606
N-methyl-6-oxo-4-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 169421888
(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
(4S)-N-methyl-6-oxo-4-(2-phenylethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136907585
(4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136698010
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
(4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136820793

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide (CID 171907744) is 4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide is CCOc1cc(C2CC(=O)Nc3n[nH]c(C(=O)NC)c32)c(Cl)cc1OC.
What is the InChIKey of 4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is CWGGGKPSLSZBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4/c1-4-26-12-5-8(10(18)7-11(12)25-3)9-6-13(23)20-16-14(9)15(21-22-16)17(24)19-2/h5,7,9H,4,6H2,1-3H3,(H,19,24)(H2,20,21,22,23).
What are the key properties of 4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 171907744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).