ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate

C12H14ClN3O2 — CID 1473447

IUPACethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2CC)c1Cl
InChIInChI=1S/C12H14ClN3O2/c1-4-16-11-9(7(3)15-16)10(13)8(6-14-11)12(17)18-5-2/h6H,4-5H2,1-3H3
InChIKeyFGEWDVKPONESEB-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.59
Rot. Bonds3

About ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 1473447) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID1473447
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Nameethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2CC)c1Cl
InChIInChI=1S/C12H14ClN3O2/c1-4-16-11-9(7(3)15-16)10(13)8(6-14-11)12(17)18-5-2/h6H,4-5H2,1-3H3
InChIKeyFGEWDVKPONESEB-UHFFFAOYSA-N
XLogP2.59
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Etazolate
CID 3277
Etazolate Hydrochloride
CID 37274
Tracazolate
CID 5522
Cartazolate
CID 37015
Ridine-5-carboxylic acid ethyl ester
CID 14590509
1-Ethyl-4-(N''-isopropylidene-hydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 53694473
methyl 4-methoxy-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2736871
ethyl 3-cyclopropyl-1-methyl-4-morpholino-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2818961
Prop-2-ynyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9972017
ethyl 4-(cyclopentylamino)-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 9972167
Prop-2-enyl 4-amino-6-methyl-1-pent-4-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9994975
Ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10016303

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 1473447) is ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2CC)c1Cl.
What is the InChIKey of ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is FGEWDVKPONESEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-4-16-11-9(7(3)15-16)10(13)8(6-14-11)12(17)18-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 267.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 1473447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).