4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C56H68N10O5 — CID 129023951

IUPAC4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1cc(N2CCN(c3cc(C(=O)O)nc4c3c(C3CCC3)nn4C3CCC(C4CN(C(C)c5ccc(-c6cc(C(=O)O)nc7c6c(C6CCC6)nn7C6CCCCC6)cc5)CCO4)CC3)CC2)ccn1
InChIInChI=1S/C56H68N10O5/c1-34-30-43(22-23-57-34)62-24-26-63(27-25-62)47-32-46(56(69)70)59-54-50(47)52(40-10-7-11-40)61-66(54)42-20-18-38(19-21-42)48-33-64(28-29-71-48)35(2)36-14-16-37(17-15-36)44-31-45(55(67)68)58-53-49(44)51(39-8-6-9-39)60-65(53)41-12-4-3-5-13-41/h14-17,22-23,30-32,35,38-42,48H,3-13,18-21,24-29,33H2,1-2H3,(H,67,68)(H,69,70)
InChIKeyUKNWEZUSWSFCAR-UHFFFAOYSA-N
MW961.22 g/mol
LogP10.50
Rot. Bonds12

About 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 129023951) has the molecular formula C56H68N10O5 and a molecular weight of 961.22 g/mol. Its IUPAC name is 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID129023951
Molecular FormulaC56H68N10O5
Molecular Weight961.22 g/mol
Exact Mass960.54
IUPAC Name4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1cc(N2CCN(c3cc(C(=O)O)nc4c3c(C3CCC3)nn4C3CCC(C4CN(C(C)c5ccc(-c6cc(C(=O)O)nc7c6c(C6CCC6)nn7C6CCCCC6)cc5)CCO4)CC3)CC2)ccn1
InChIInChI=1S/C56H68N10O5/c1-34-30-43(22-23-57-34)62-24-26-63(27-25-62)47-32-46(56(69)70)59-54-50(47)52(40-10-7-11-40)61-66(54)42-20-18-38(19-21-42)48-33-64(28-29-71-48)35(2)36-14-16-37(17-15-36)44-31-45(55(67)68)58-53-49(44)51(39-8-6-9-39)60-65(53)41-12-4-3-5-13-41/h14-17,22-23,30-32,35,38-42,48H,3-13,18-21,24-29,33H2,1-2H3,(H,67,68)(H,69,70)
InChIKeyUKNWEZUSWSFCAR-UHFFFAOYSA-N
XLogP10.50
TPSA167.86 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.22
LogP ≤ 510.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

CID 126742549
CID 126742549
CID 126742967
CID 126742967
CID 126741684
CID 126741684
CID 126742439
CID 126742439
CID 126742723
CID 126742723
CID 126742869
CID 126742869
CID 126743201
CID 126743201
CID 126743247
CID 126743247
CID 126743642
CID 126743642
CID 129013298
CID 129013298
CID 146230828
CID 146230828
CID 126741346
CID 126741346

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 129023951) is 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1cc(N2CCN(c3cc(C(=O)O)nc4c3c(C3CCC3)nn4C3CCC(C4CN(C(C)c5ccc(-c6cc(C(=O)O)nc7c6c(C6CCC6)nn7C6CCCCC6)cc5)CCO4)CC3)CC2)ccn1.
What is the InChIKey of 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is UKNWEZUSWSFCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H68N10O5/c1-34-30-43(22-23-57-34)62-24-26-63(27-25-62)47-32-46(56(69)70)59-54-50(47)52(40-10-7-11-40)61-66(54)42-20-18-38(19-21-42)48-33-64(28-29-71-48)35(2)36-14-16-37(17-15-36)44-31-45(55(67)68)58-53-49(44)51(39-8-6-9-39)60-65(53)41-12-4-3-5-13-41/h14-17,22-23,30-32,35,38-42,48H,3-13,18-21,24-29,33H2,1-2H3,(H,67,68)(H,69,70).
What are the key properties of 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 961.22 g/mol, XLogP of 10.50, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[2-[4-[6-carboxy-3-cyclobutyl-4-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]cyclohexyl]morpholin-4-yl]ethyl]phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 129023951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).