6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile

C31H20FN5O — CID 57328340

IUPAC6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(-c3ccc(F)cc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C31H20FN5O/c1-38-25-15-11-20(12-16-25)27-26(18-33)29(21-9-13-23(32)14-10-21)35-31-28(27)30(22-6-5-17-34-19-22)36-37(31)24-7-3-2-4-8-24/h2-17,19H,1H3
InChIKeyDUFRZXKBNGDNLE-UHFFFAOYSA-N
MW497.53 g/mol
LogP6.84
Rot. Bonds5

About 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile

6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 57328340) has the molecular formula C31H20FN5O and a molecular weight of 497.53 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID57328340
Molecular FormulaC31H20FN5O
Molecular Weight497.53 g/mol
Exact Mass497.17
IUPAC Name6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(-c3ccc(F)cc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C31H20FN5O/c1-38-25-15-11-20(12-16-25)27-26(18-33)29(21-9-13-23(32)14-10-21)35-31-28(27)30(22-6-5-17-34-19-22)36-37(31)24-7-3-2-4-8-24/h2-17,19H,1H3
InChIKeyDUFRZXKBNGDNLE-UHFFFAOYSA-N
XLogP6.84
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.53
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 57328340) is 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile is COc1ccc(-c2c(C#N)c(-c3ccc(F)cc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is DUFRZXKBNGDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20FN5O/c1-38-25-15-11-20(12-16-25)27-26(18-33)29(21-9-13-23(32)14-10-21)35-31-28(27)30(22-6-5-17-34-19-22)36-37(31)24-7-3-2-4-8-24/h2-17,19H,1H3.
What are the key properties of 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 497.53 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 57328340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).