ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C33H40N6O4 — CID 126741418

IUPACethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC3CCOC(C)C3)nc2)c2c(C(C)C)nn(-c3cccc(N4CCOCC4)c3)c2n1
InChIInChI=1S/C33H40N6O4/c1-5-42-33(40)28-19-27(23-9-10-29(34-20-23)35-24-11-14-43-22(4)17-24)30-31(21(2)3)37-39(32(30)36-28)26-8-6-7-25(18-26)38-12-15-41-16-13-38/h6-10,18-22,24H,5,11-17H2,1-4H3,(H,34,35)
InChIKeyNFBMMNGLNZOPCU-UHFFFAOYSA-N
MW584.72 g/mol
LogP5.60
Rot. Bonds8

About ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741418) has the molecular formula C33H40N6O4 and a molecular weight of 584.72 g/mol. Its IUPAC name is ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126741418
Molecular FormulaC33H40N6O4
Molecular Weight584.72 g/mol
Exact Mass584.31
IUPAC Nameethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC3CCOC(C)C3)nc2)c2c(C(C)C)nn(-c3cccc(N4CCOCC4)c3)c2n1
InChIInChI=1S/C33H40N6O4/c1-5-42-33(40)28-19-27(23-9-10-29(34-20-23)35-24-11-14-43-22(4)17-24)30-31(21(2)3)37-39(32(30)36-28)26-8-6-7-25(18-26)38-12-15-41-16-13-38/h6-10,18-22,24H,5,11-17H2,1-4H3,(H,34,35)
InChIKeyNFBMMNGLNZOPCU-UHFFFAOYSA-N
XLogP5.60
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741418) is ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(-c2ccc(NC3CCOC(C)C3)nc2)c2c(C(C)C)nn(-c3cccc(N4CCOCC4)c3)c2n1.
What is the InChIKey of ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is NFBMMNGLNZOPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O4/c1-5-42-33(40)28-19-27(23-9-10-29(34-20-23)35-24-11-14-43-22(4)17-24)30-31(21(2)3)37-39(32(30)36-28)26-8-6-7-25(18-26)38-12-15-41-16-13-38/h6-10,18-22,24H,5,11-17H2,1-4H3,(H,34,35).
What are the key properties of ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 584.72 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[(2-methyloxan-4-yl)amino]-3-pyridinyl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).