ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine

C56H77FN12O8 — CID 157149370

IUPACethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine
SMILESC1COCCN1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(F)c3)c2n1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(N4CCOCC4)c3)c2n1
InChIInChI=1S/C28H38N6O4.C24H30FN5O3.C4H9NO/c1-5-38-28(35)22-17-23(32-10-7-20(8-11-32)18-36-4)25-26(19(2)3)31-34(27(25)30-22)21-6-9-29-24(16-21)33-12-14-37-15-13-33;1-5-33-24(31)18-13-19(29-10-7-16(8-11-29)14-32-4)21-22(15(2)3)28-30(23(21)27-18)17-6-9-26-20(25)12-17;1-3-6-4-2-5-1/h6,9,16-17,19-20H,5,7-8,10-15,18H2,1-4H3;6,9,12-13,15-16H,5,7-8,10-11,14H2,1-4H3;5H,1-4H2
InChIKeyALBQPDINPPQVSJ-UHFFFAOYSA-N
MW1065.31 g/mol
LogP7.54
Rot. Bonds15

About ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine

ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine (PubChem CID 157149370) has the molecular formula C56H77FN12O8 and a molecular weight of 1065.31 g/mol. Its IUPAC name is ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine.

Molecular Properties

Compound Nameethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine
PubChem CID157149370
Molecular FormulaC56H77FN12O8
Molecular Weight1065.31 g/mol
Exact Mass1064.60
IUPAC Nameethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine
SMILESC1COCCN1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(F)c3)c2n1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(N4CCOCC4)c3)c2n1
InChIInChI=1S/C28H38N6O4.C24H30FN5O3.C4H9NO/c1-5-38-28(35)22-17-23(32-10-7-20(8-11-32)18-36-4)25-26(19(2)3)31-34(27(25)30-22)21-6-9-29-24(16-21)33-12-14-37-15-13-33;1-5-33-24(31)18-13-19(29-10-7-16(8-11-29)14-32-4)21-22(15(2)3)28-30(23(21)27-18)17-6-9-26-20(25)12-17;1-3-6-4-2-5-1/h6,9,16-17,19-20H,5,7-8,10-15,18H2,1-4H3;6,9,12-13,15-16H,5,7-8,10-11,14H2,1-4H3;5H,1-4H2
InChIKeyALBQPDINPPQVSJ-UHFFFAOYSA-N
XLogP7.54
TPSA198.47 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.31
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine with MolForge

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Related Compounds

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3-Methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
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1-(2-Amino-1-morpholin-4-yl-2-oxoethyl)-6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
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2-(dimethylamino)ethyl 4-[[4-[6-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]methyl]benzoate
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N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
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2-amino-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine?
The IUPAC name of ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine (CID 157149370) is ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine.
What is the SMILES notation for ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine?
The canonical SMILES for ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine is C1COCCN1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(F)c3)c2n1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(N4CCOCC4)c3)c2n1.
What is the InChIKey of ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine?
The InChIKey is ALBQPDINPPQVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O4.C24H30FN5O3.C4H9NO/c1-5-38-28(35)22-17-23(32-10-7-20(8-11-32)18-36-4)25-26(19(2)3)31-34(27(25)30-22)21-6-9-29-24(16-21)33-12-14-37-15-13-33;1-5-33-24(31)18-13-19(29-10-7-16(8-11-29)14-32-4)21-22(15(2)3)28-30(23(21)27-18)17-6-9-26-20(25)12-17;1-3-6-4-2-5-1/h6,9,16-17,19-20H,5,7-8,10-15,18H2,1-4H3;6,9,12-13,15-16H,5,7-8,10-11,14H2,1-4H3;5H,1-4H2.
What are the key properties of ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine?
ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine has a molecular weight of 1065.31 g/mol, XLogP of 7.54, 15 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;morpholine is sourced from PubChem (CID 157149370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).