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

C26H33N5O3 — CID 126742917

IUPACethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C(C)C)nn(C3CCNC3)c2n1
InChIInChI=1S/C26H33N5O3/c1-4-34-26(32)22-15-21(18-5-7-19(8-6-18)30-11-13-33-14-12-30)23-24(17(2)3)29-31(25(23)28-22)20-9-10-27-16-20/h5-8,15,17,20,27H,4,9-14,16H2,1-3H3
InChIKeyVWKVMOVWXDJLNR-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.77
Rot. Bonds6

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

ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126742917) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126742917
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Nameethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C(C)C)nn(C3CCNC3)c2n1
InChIInChI=1S/C26H33N5O3/c1-4-34-26(32)22-15-21(18-5-7-19(8-6-18)30-11-13-33-14-12-30)23-24(17(2)3)29-31(25(23)28-22)20-9-10-27-16-20/h5-8,15,17,20,27H,4,9-14,16H2,1-3H3
InChIKeyVWKVMOVWXDJLNR-UHFFFAOYSA-N
XLogP3.77
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-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

Related Compounds

N-ethylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742175
ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743190
ethyl 1-cyclohexyl-4-piperidin-1-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743808
1-cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743803
ethyl 4-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1-(3-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743814
ethyl 1-cyclohexyl-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743457
4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743242
1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743328
ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743225
1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742440
ethyl 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742176

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126742917) is ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C(C)C)nn(C3CCNC3)c2n1.
What is the InChIKey of ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is VWKVMOVWXDJLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-4-34-26(32)22-15-21(18-5-7-19(8-6-18)30-11-13-33-14-12-30)23-24(17(2)3)29-31(25(23)28-22)20-9-10-27-16-20/h5-8,15,17,20,27H,4,9-14,16H2,1-3H3.
What are the key properties of ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126742917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).