4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

C54H44F2N8O2 — CID 158270643

IUPAC4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2c(-c3ccccc3)c(-c3ccncc3)c(-c3ccccc3)nc21.Fc1ccc(-c2nc3nn(CCOC4CCCCO4)cc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C30H26F2N4O2.C24H18N4/c31-23-8-4-20(5-9-23)27-25-19-36(16-18-38-26-3-1-2-17-37-26)35-30(25)34-29(22-6-10-24(32)11-7-22)28(27)21-12-14-33-15-13-21;1-28-24-20(16-26-28)21(17-8-4-2-5-9-17)22(18-12-14-25-15-13-18)23(27-24)19-10-6-3-7-11-19/h4-15,19,26H,1-3,16-18H2;2-16H,1H3
InChIKeyGIZGAPMQQHRWGL-UHFFFAOYSA-N
MW875.00 g/mol
LogP12.01
Rot. Bonds10

About 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (PubChem CID 158270643) has the molecular formula C54H44F2N8O2 and a molecular weight of 875.00 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
PubChem CID158270643
Molecular FormulaC54H44F2N8O2
Molecular Weight875.00 g/mol
Exact Mass874.36
IUPAC Name4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2c(-c3ccccc3)c(-c3ccncc3)c(-c3ccccc3)nc21.Fc1ccc(-c2nc3nn(CCOC4CCCCO4)cc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C30H26F2N4O2.C24H18N4/c31-23-8-4-20(5-9-23)27-25-19-36(16-18-38-26-3-1-2-17-37-26)35-30(25)34-29(22-6-10-24(32)11-7-22)28(27)21-12-14-33-15-13-21;1-28-24-20(16-26-28)21(17-8-4-2-5-9-17)22(18-12-14-25-15-13-18)23(27-24)19-10-6-3-7-11-19/h4-15,19,26H,1-3,16-18H2;2-16H,1H3
InChIKeyGIZGAPMQQHRWGL-UHFFFAOYSA-N
XLogP12.01
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.00
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

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CID 45483330
1-(1,3-dioxolan-2-ylmethyl)-N-methyl-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
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(S)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)-4-(5-(4-(morpholinomethyl)phenyl)pyrimidin-2-yl)morpholine
CID 73504720
(S)-4-(5-(3-fluoro-4-(morpholinomethyl)phenyl)pyrimidin-2-yl)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)morpholine
CID 73505782
4-[5-[3-Fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine
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US20240018151, Example 8
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(3R)-3-methyl-4-[7-[3-methyl-1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine
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4-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (CID 158270643) is 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is Cn1ncc2c(-c3ccccc3)c(-c3ccncc3)c(-c3ccccc3)nc21.Fc1ccc(-c2nc3nn(CCOC4CCCCO4)cc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The InChIKey is GIZGAPMQQHRWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N4O2.C24H18N4/c31-23-8-4-20(5-9-23)27-25-19-36(16-18-38-26-3-1-2-17-37-26)35-30(25)34-29(22-6-10-24(32)11-7-22)28(27)21-12-14-33-15-13-21;1-28-24-20(16-26-28)21(17-8-4-2-5-9-17)22(18-12-14-25-15-13-18)23(27-24)19-10-6-3-7-11-19/h4-15,19,26H,1-3,16-18H2;2-16H,1H3.
What are the key properties of 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine has a molecular weight of 875.00 g/mol, XLogP of 12.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-2-[2-(oxan-2-yloxy)ethyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine;1-methyl-4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158270643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).