6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

C29H21N3O4 — CID 118423451

IUPAC6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(Cc2ccc(Oc3cccc4ccccc34)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C29H21N3O4/c1-18-27-23(29(33)34)16-24(26-10-5-15-35-26)30-28(27)32(31-18)17-19-11-13-21(14-12-19)36-25-9-4-7-20-6-2-3-8-22(20)25/h2-16H,17H2,1H3,(H,33,34)
InChIKeyMFKDCHRPNIENCR-UHFFFAOYSA-N
MW475.50 g/mol
LogP6.69
Rot. Bonds6

About 6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 118423451) has the molecular formula C29H21N3O4 and a molecular weight of 475.50 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID118423451
Molecular FormulaC29H21N3O4
Molecular Weight475.50 g/mol
Exact Mass475.15
IUPAC Name6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(Cc2ccc(Oc3cccc4ccccc34)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C29H21N3O4/c1-18-27-23(29(33)34)16-24(26-10-5-15-35-26)30-28(27)32(31-18)17-19-11-13-21(14-12-19)36-25-9-4-7-20-6-2-3-8-22(20)25/h2-16H,17H2,1H3,(H,33,34)
InChIKeyMFKDCHRPNIENCR-UHFFFAOYSA-N
XLogP6.69
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 118423451) is 6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(Cc2ccc(Oc3cccc4ccccc34)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is MFKDCHRPNIENCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O4/c1-18-27-23(29(33)34)16-24(26-10-5-15-35-26)30-28(27)32(31-18)17-19-11-13-21(14-12-19)36-25-9-4-7-20-6-2-3-8-22(20)25/h2-16H,17H2,1H3,(H,33,34).
What are the key properties of 6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 475.50 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-1-[(4-naphthalen-1-yloxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 118423451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).