ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate

C33H46N6O3 — CID 129024141

IUPACethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCCN(CC)C1CCN(c2cc(C(=O)OCC)nc3c2c(C2CCC2)nn3-c2ccnc(C3CCOCC3)c2)CC1
InChIInChI=1S/C33H46N6O3/c1-4-16-37(5-2)25-11-17-38(18-12-25)29-22-28(33(40)42-6-3)35-32-30(29)31(24-8-7-9-24)36-39(32)26-10-15-34-27(21-26)23-13-19-41-20-14-23/h10,15,21-25H,4-9,11-14,16-20H2,1-3H3
InChIKeyGSKQQCKAFLLZKW-UHFFFAOYSA-N
MW574.77 g/mol
LogP5.85
Rot. Bonds10

About ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 129024141) has the molecular formula C33H46N6O3 and a molecular weight of 574.77 g/mol. Its IUPAC name is ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID129024141
Molecular FormulaC33H46N6O3
Molecular Weight574.77 g/mol
Exact Mass574.36
IUPAC Nameethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCCN(CC)C1CCN(c2cc(C(=O)OCC)nc3c2c(C2CCC2)nn3-c2ccnc(C3CCOCC3)c2)CC1
InChIInChI=1S/C33H46N6O3/c1-4-16-37(5-2)25-11-17-38(18-12-25)29-22-28(33(40)42-6-3)35-32-30(29)31(24-8-7-9-24)36-39(32)26-10-15-34-27(21-26)23-13-19-41-20-14-23/h10,15,21-25H,4-9,11-14,16-20H2,1-3H3
InChIKeyGSKQQCKAFLLZKW-UHFFFAOYSA-N
XLogP5.85
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate (CID 129024141) is ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate is CCCN(CC)C1CCN(c2cc(C(=O)OCC)nc3c2c(C2CCC2)nn3-c2ccnc(C3CCOCC3)c2)CC1.
What is the InChIKey of ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is GSKQQCKAFLLZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N6O3/c1-4-16-37(5-2)25-11-17-38(18-12-25)29-22-28(33(40)42-6-3)35-32-30(29)31(24-8-7-9-24)36-39(32)26-10-15-34-27(21-26)23-13-19-41-20-14-23/h10,15,21-25H,4-9,11-14,16-20H2,1-3H3.
What are the key properties of ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 574.77 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 129024141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).