[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

C22H25ClN4O4 — CID 46675988

IUPAC[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)OC(=O)c1cc(C)nc2c1cnn2C(C)C
InChIInChI=1S/C22H25ClN4O4/c1-11(2)27-20-16(10-24-27)15(8-13(4)25-20)22(29)31-14(5)21(28)26-18-7-12(3)17(23)9-19(18)30-6/h7-11,14H,1-6H3,(H,26,28)
InChIKeyRZYNVHTYUGOXBQ-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.48
Rot. Bonds6

About [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 46675988) has the molecular formula C22H25ClN4O4 and a molecular weight of 444.92 g/mol. Its IUPAC name is [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID46675988
Molecular FormulaC22H25ClN4O4
Molecular Weight444.92 g/mol
Exact Mass444.16
IUPAC Name[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)OC(=O)c1cc(C)nc2c1cnn2C(C)C
InChIInChI=1S/C22H25ClN4O4/c1-11(2)27-20-16(10-24-27)15(8-13(4)25-20)22(29)31-14(5)21(28)26-18-7-12(3)17(23)9-19(18)30-6/h7-11,14H,1-6H3,(H,26,28)
InChIKeyRZYNVHTYUGOXBQ-UHFFFAOYSA-N
XLogP4.48
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46636123
[1-(carbamoylamino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 46675930
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8549965
[1-(4-chloroanilino)-1-oxopropan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 46796995
(1-oxo-1-phenylpropan-2-yl) 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 42928941
[1-(2-chloroanilino)-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46676720
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540414
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 23744736
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9382415
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 9310800
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] furan-3-carboxylate
CID 46649016
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-nitrobenzoate
CID 43042529

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 46675988) is [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate is COc1cc(Cl)c(C)cc1NC(=O)C(C)OC(=O)c1cc(C)nc2c1cnn2C(C)C.
What is the InChIKey of [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is RZYNVHTYUGOXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4/c1-11(2)27-20-16(10-24-27)15(8-13(4)25-20)22(29)31-14(5)21(28)26-18-7-12(3)17(23)9-19(18)30-6/h7-11,14H,1-6H3,(H,26,28).
What are the key properties of [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 444.92 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46675988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).