6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C24H25N5O2 — CID 18281449

IUPAC6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C
InChIInChI=1S/C24H25N5O2/c1-15-13-17(29-10-4-5-11-29)8-9-19(15)26-24(30)18-14-20(21-7-6-12-31-21)25-23-22(18)16(2)27-28(23)3/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,26,30)
InChIKeyZWJQKCNHAIKGQT-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.70
Rot. Bonds4

About 6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18281449) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18281449
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C
InChIInChI=1S/C24H25N5O2/c1-15-13-17(29-10-4-5-11-29)8-9-19(15)26-24(30)18-14-20(21-7-6-12-31-21)25-23-22(18)16(2)27-28(23)3/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,26,30)
InChIKeyZWJQKCNHAIKGQT-UHFFFAOYSA-N
XLogP4.70
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 18281449) is 6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C.
What is the InChIKey of 6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZWJQKCNHAIKGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-13-17(29-10-4-5-11-29)8-9-19(15)26-24(30)18-14-20(21-7-6-12-31-21)25-23-22(18)16(2)27-28(23)3/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,26,30).
What are the key properties of 6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18281449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).