ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate

C17H24N4O2 — CID 10448469

IUPACethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1
InChIInChI=1S/C17H24N4O2/c1-3-21-16-13(11-19-21)15(20-12-8-6-5-7-9-12)14(10-18-16)17(22)23-4-2/h10-12H,3-9H2,1-2H3,(H,18,20)
InChIKeyDDAUUBIDZKMIDP-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.37
Rot. Bonds5

About ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10448469) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10448469
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Nameethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1
InChIInChI=1S/C17H24N4O2/c1-3-21-16-13(11-19-21)15(20-12-8-6-5-7-9-12)14(10-18-16)17(22)23-4-2/h10-12H,3-9H2,1-2H3,(H,18,20)
InChIKeyDDAUUBIDZKMIDP-UHFFFAOYSA-N
XLogP3.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10448469) is ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1.
What is the InChIKey of ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is DDAUUBIDZKMIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-21-16-13(11-19-21)15(20-12-8-6-5-7-9-12)14(10-18-16)17(22)23-4-2/h10-12H,3-9H2,1-2H3,(H,18,20).
What are the key properties of ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 316.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10448469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).