N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C20H17FN4OS — CID 55545378

IUPACN-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)ccc2C)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C20H17FN4OS/c1-12-5-6-14(21)9-18(12)24-20(26)16-8-13(2)23-19-17(16)10-22-25(19)11-15-4-3-7-27-15/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyKYOFECDRQOTLOF-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.55
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55545378) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55545378
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC NameN-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)ccc2C)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C20H17FN4OS/c1-12-5-6-14(21)9-18(12)24-20(26)16-8-13(2)23-19-17(16)10-22-25(19)11-15-4-3-7-27-15/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyKYOFECDRQOTLOF-UHFFFAOYSA-N
XLogP4.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55545378) is N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(F)ccc2C)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is KYOFECDRQOTLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-12-5-6-14(21)9-18(12)24-20(26)16-8-13(2)23-19-17(16)10-22-25(19)11-15-4-3-7-27-15/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55545378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).