N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C20H17F3N4O2S — CID 55555286

IUPACN-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C20H17F3N4O2S/c1-13-8-16(17-9-24-27(18(17)25-13)11-15-5-3-7-30-15)19(28)26(12-20(21,22)23)10-14-4-2-6-29-14/h2-9H,10-12H2,1H3
InChIKeySALJHCINDPNNEQ-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.65
Rot. Bonds6

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

N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55555286) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55555286
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC NameN-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C20H17F3N4O2S/c1-13-8-16(17-9-24-27(18(17)25-13)11-15-5-3-7-30-15)19(28)26(12-20(21,22)23)10-14-4-2-6-29-14/h2-9H,10-12H2,1H3
InChIKeySALJHCINDPNNEQ-UHFFFAOYSA-N
XLogP4.65
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55555286) is N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is SALJHCINDPNNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c1-13-8-16(17-9-24-27(18(17)25-13)11-15-5-3-7-30-15)19(28)26(12-20(21,22)23)10-14-4-2-6-29-14/h2-9H,10-12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55555286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).