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

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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).