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

C60H72N10O8 — CID 159852873

IUPACethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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
SMILESCCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C(C)C)nn(C3CCN(C(=O)OCc4ccccc4)C3)c2n1.CCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C(C)C)nn(C3CCNC3)c2n1
InChIInChI=1S/C34H39N5O5.C26H33N5O3/c1-4-43-33(40)29-20-28(25-10-12-26(13-11-25)37-16-18-42-19-17-37)30-31(23(2)3)36-39(32(30)35-29)27-14-15-38(21-27)34(41)44-22-24-8-6-5-7-9-24;1-4-34-26(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/h5-13,20,23,27H,4,14-19,21-22H2,1-3H3;5-8,15,17,20,27H,4,9-14,16H2,1-3H3
InChIKeyNQDVTINTQBVGMV-UHFFFAOYSA-N
MW1061.30 g/mol
LogP9.59
Rot. Bonds14

About ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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

ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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 159852873) has the molecular formula C60H72N10O8 and a molecular weight of 1061.30 g/mol. Its IUPAC name is ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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.

Molecular Properties

Compound Nameethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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 CID159852873
Molecular FormulaC60H72N10O8
Molecular Weight1061.30 g/mol
Exact Mass1060.55
IUPAC Nameethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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
SMILESCCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C(C)C)nn(C3CCN(C(=O)OCc4ccccc4)C3)c2n1.CCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C(C)C)nn(C3CCNC3)c2n1
InChIInChI=1S/C34H39N5O5.C26H33N5O3/c1-4-43-33(40)29-20-28(25-10-12-26(13-11-25)37-16-18-42-19-17-37)30-31(23(2)3)36-39(32(30)35-29)27-14-15-38(21-27)34(41)44-22-24-8-6-5-7-9-24;1-4-34-26(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/h5-13,20,23,27H,4,14-19,21-22H2,1-3H3;5-8,15,17,20,27H,4,9-14,16H2,1-3H3
InChIKeyNQDVTINTQBVGMV-UHFFFAOYSA-N
XLogP9.59
TPSA180.53 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.30
LogP ≤ 59.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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 with MolForge

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Related Compounds

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 3-cyclobutyl-4-[4-(4-ethoxycarbonylpiperazin-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741733
Methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741896
Ethyl 1-[3-(3-fluoropyrrolidin-1-yl)phenyl]-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742631
Ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[3,4-b]pyridine-6-carboxylate
CID 126743356
Ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazolo[3,4-b]pyridine-6-carboxylate
CID 126743917
Ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 134442483
sodium;[4-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl]methanone;4-[(3aS,7aR)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-[(3aR,7aS)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-[(3aR,7aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;acetyl chloride;4-methylmorpholine;2,2,2-trifluoroacetic acid;hydroxide
CID 162117661
Ethyl 1-(4-fluorophenyl)-3-pentan-3-yl-6-[4-[2-(phenylcarbamoyloxy)ethyl]piperazin-1-yl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 166163684
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone
CID 167577923
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 167659374
1-(7-Cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindolin-5-yl]piperazin-1-yl]-6-oxo-hexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridyl]urea
CID 169161505

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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?
The IUPAC name of ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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 (CID 159852873) is ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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.
What is the SMILES notation for ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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?
The canonical SMILES for ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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 is CCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C(C)C)nn(C3CCN(C(=O)OCc4ccccc4)C3)c2n1.CCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C(C)C)nn(C3CCNC3)c2n1.
What is the InChIKey of ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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?
The InChIKey is NQDVTINTQBVGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O5.C26H33N5O3/c1-4-43-33(40)29-20-28(25-10-12-26(13-11-25)37-16-18-42-19-17-37)30-31(23(2)3)36-39(32(30)35-29)27-14-15-38(21-27)34(41)44-22-24-8-6-5-7-9-24;1-4-34-26(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/h5-13,20,23,27H,4,14-19,21-22H2,1-3H3;5-8,15,17,20,27H,4,9-14,16H2,1-3H3.
What are the key properties of ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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?
ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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 1061.30 g/mol, XLogP of 9.59, 14 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-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 is sourced from PubChem (CID 159852873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).