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

C15H18ClN3O2 — CID 11301265

IUPACethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C2CCCC2)c1Cl
InChIInChI=1S/C15H18ClN3O2/c1-3-21-15(20)11-8-17-14-12(13(11)16)9(2)18-19(14)10-6-4-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyKVWAKUYYEKCAJC-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.68
Rot. Bonds3

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

ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 11301265) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID11301265
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Nameethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C2CCCC2)c1Cl
InChIInChI=1S/C15H18ClN3O2/c1-3-21-15(20)11-8-17-14-12(13(11)16)9(2)18-19(14)10-6-4-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyKVWAKUYYEKCAJC-UHFFFAOYSA-N
XLogP3.68
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 122442879
4-chloro-1-cyclopentyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458361
ethyl 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 146500521
ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 135253375
ethyl 5-arsanyl-1-cyclohexylpyrazole-4-carboxylate
CID 173179527
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
ethyl 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 66733175
diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
CID 125461582
ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate
CID 23113343
ethyl 1,3-dimethyl-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133442414
4-chloro-3-methyl-N-(4-propan-2-ylphenyl)-1-(thian-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458169
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 11301265) is ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C2CCCC2)c1Cl.
What is the InChIKey of ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is KVWAKUYYEKCAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-21-15(20)11-8-17-14-12(13(11)16)9(2)18-19(14)10-6-4-5-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 307.78 g/mol, XLogP of 3.68, 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-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 11301265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).