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

C54H73FN12O8 — CID 161266247

IUPACethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine
SMILESC1COCCN1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(F)c3)c2n1.COCC1CCN(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C26H34N6O4.C24H30FN5O3.C4H9NO/c1-17(2)24-23-21(30-8-5-18(6-9-30)16-35-3)15-20(26(33)34)28-25(23)32(29-24)19-4-7-27-22(14-19)31-10-12-36-13-11-31;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/h4,7,14-15,17-18H,5-6,8-13,16H2,1-3H3,(H,33,34);6,9,12-13,15-16H,5,7-8,10-11,14H2,1-4H3;5H,1-4H2
InChIKeyVDFLWPCTQBDJFL-UHFFFAOYSA-N
MW1037.25 g/mol
LogP7.06
Rot. Bonds14

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

ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine (PubChem CID 161266247) has the molecular formula C54H73FN12O8 and a molecular weight of 1037.25 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;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;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;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine
PubChem CID161266247
Molecular FormulaC54H73FN12O8
Molecular Weight1037.25 g/mol
Exact Mass1036.57
IUPAC Nameethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine
SMILESC1COCCN1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(F)c3)c2n1.COCC1CCN(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C26H34N6O4.C24H30FN5O3.C4H9NO/c1-17(2)24-23-21(30-8-5-18(6-9-30)16-35-3)15-20(26(33)34)28-25(23)32(29-24)19-4-7-27-22(14-19)31-10-12-36-13-11-31;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/h4,7,14-15,17-18H,5-6,8-13,16H2,1-3H3,(H,33,34);6,9,12-13,15-16H,5,7-8,10-11,14H2,1-4H3;5H,1-4H2
InChIKeyVDFLWPCTQBDJFL-UHFFFAOYSA-N
XLogP7.06
TPSA209.47 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.25
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

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

US10759793, Example 79
CID 124125740
US10759793, Example 38
CID 124125666
3-Cyclobutyl-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742549
3-Methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742967
4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 71709461
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
CID 66992433
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
CID 118616428
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-morpholin-4-ylpyridine-4-carboxamide
CID 118616446
ethyl 5-[5-fluoro-6-[[(3R)-piperidin-3-yl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]pyridine-2-carboxylate
CID 124125743
ethyl 5-[5-fluoro-6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]pyridine-2-carboxylate
CID 124125943
Methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741387
Methyl 1-(4-fluorophenyl)-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741430

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;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;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;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine (CID 161266247) is ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;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;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;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;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine is C1COCCN1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(F)c3)c2n1.COCC1CCN(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccnc(N3CCOCC3)c2)CC1.
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;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine?
The InChIKey is VDFLWPCTQBDJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4.C24H30FN5O3.C4H9NO/c1-17(2)24-23-21(30-8-5-18(6-9-30)16-35-3)15-20(26(33)34)28-25(23)32(29-24)19-4-7-27-22(14-19)31-10-12-36-13-11-31;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/h4,7,14-15,17-18H,5-6,8-13,16H2,1-3H3,(H,33,34);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;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine?
ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine has a molecular weight of 1037.25 g/mol, XLogP of 7.06, 14 rotatable bonds, 2 hydrogen bond donors, and 19 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;4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine is sourced from PubChem (CID 161266247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).