N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide

C20H15F3N4O2 — CID 118335590

IUPACN-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide
SMILESCc1ccc2c(NC(=O)c3ccoc3)nn(Cc3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C20H15F3N4O2/c1-12-2-7-16-17(25-19(28)14-8-9-29-11-14)26-27(18(16)24-12)10-13-3-5-15(6-4-13)20(21,22)23/h2-9,11H,10H2,1H3,(H,25,26,28)
InChIKeyQPVOJLPSKBTMNX-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.65
Rot. Bonds4

About N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide

N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide (PubChem CID 118335590) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide
PubChem CID118335590
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC NameN-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide
SMILESCc1ccc2c(NC(=O)c3ccoc3)nn(Cc3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C20H15F3N4O2/c1-12-2-7-16-17(25-19(28)14-8-9-29-11-14)26-27(18(16)24-12)10-13-3-5-15(6-4-13)20(21,22)23/h2-9,11H,10H2,1H3,(H,25,26,28)
InChIKeyQPVOJLPSKBTMNX-UHFFFAOYSA-N
XLogP4.65
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide (CID 118335590) is N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide is Cc1ccc2c(NC(=O)c3ccoc3)nn(Cc3ccc(C(F)(F)F)cc3)c2n1.
What is the InChIKey of N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide?
The InChIKey is QPVOJLPSKBTMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-12-2-7-16-17(25-19(28)14-8-9-29-11-14)26-27(18(16)24-12)10-13-3-5-15(6-4-13)20(21,22)23/h2-9,11H,10H2,1H3,(H,25,26,28).
What are the key properties of N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide?
N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118335590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).