ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

C17H24N4O3 — CID 90965403

IUPACethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc2[nH]ncc2c1NC1CCC(O)CC1
InChIInChI=1S/C17H24N4O3/c1-3-13-14(17(23)24-4-2)15(12-9-18-21-16(12)20-13)19-10-5-7-11(22)8-6-10/h9-11,22H,3-8H2,1-2H3,(H2,18,19,20,21)
InChIKeyKABPUYYMVYZJNO-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.41
Rot. Bonds5

About ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 90965403) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID90965403
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nameethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc2[nH]ncc2c1NC1CCC(O)CC1
InChIInChI=1S/C17H24N4O3/c1-3-13-14(17(23)24-4-2)15(12-9-18-21-16(12)20-13)19-10-5-7-11(22)8-6-10/h9-11,22H,3-8H2,1-2H3,(H2,18,19,20,21)
InChIKeyKABPUYYMVYZJNO-UHFFFAOYSA-N
XLogP2.41
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CID 90965403) is ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(CC)nc2[nH]ncc2c1NC1CCC(O)CC1.
What is the InChIKey of ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is KABPUYYMVYZJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-13-14(17(23)24-4-2)15(12-9-18-21-16(12)20-13)19-10-5-7-11(22)8-6-10/h9-11,22H,3-8H2,1-2H3,(H2,18,19,20,21).
What are the key properties of ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-4-[(4-hydroxycyclohexyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 90965403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).