ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C15H19ClN4O2 — CID 122442879

IUPACethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C2CCNCC2)c1Cl
InChIInChI=1S/C15H19ClN4O2/c1-3-22-15(21)11-8-18-14-12(13(11)16)9(2)19-20(14)10-4-6-17-7-5-10/h8,10,17H,3-7H2,1-2H3
InChIKeyXGHFVQOBPLLWMM-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.49
Rot. Bonds3

About ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 122442879) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID122442879
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Nameethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C2CCNCC2)c1Cl
InChIInChI=1S/C15H19ClN4O2/c1-3-22-15(21)11-8-18-14-12(13(11)16)9(2)19-20(14)10-4-6-17-7-5-10/h8,10,17H,3-7H2,1-2H3
InChIKeyXGHFVQOBPLLWMM-UHFFFAOYSA-N
XLogP2.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
ethyl 1-(2-chloro-2-phenylethyl)-4-(propylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 9977467
Prop-2-enyl 4-amino-6-methyl-1-pent-4-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9994975
1-(2-Chloro-2-phenyl-ethyl)-4-(2-ethoxy-ethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 10002003

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 122442879) is ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C2CCNCC2)c1Cl.
What is the InChIKey of ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is XGHFVQOBPLLWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-3-22-15(21)11-8-18-14-12(13(11)16)9(2)19-20(14)10-4-6-17-7-5-10/h8,10,17H,3-7H2,1-2H3.
What are the key properties of ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 322.80 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 122442879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).