5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile

C18H10F3N5S — CID 155389258

IUPAC5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Cn2ncc3ncc(-c4ccc(C(F)(F)F)s4)cc32)c1
InChIInChI=1S/C18H10F3N5S/c19-18(20,21)17-2-1-16(27-17)13-4-15-14(24-8-13)9-25-26(15)10-12-3-11(5-22)6-23-7-12/h1-4,6-9H,10H2
InChIKeyFMAHDTFOTYXHDX-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.49
Rot. Bonds3

About 5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile

5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 155389258) has the molecular formula C18H10F3N5S and a molecular weight of 385.37 g/mol. Its IUPAC name is 5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID155389258
Molecular FormulaC18H10F3N5S
Molecular Weight385.37 g/mol
Exact Mass385.06
IUPAC Name5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Cn2ncc3ncc(-c4ccc(C(F)(F)F)s4)cc32)c1
InChIInChI=1S/C18H10F3N5S/c19-18(20,21)17-2-1-16(27-17)13-4-15-14(24-8-13)9-25-26(15)10-12-3-11(5-22)6-23-7-12/h1-4,6-9H,10H2
InChIKeyFMAHDTFOTYXHDX-UHFFFAOYSA-N
XLogP4.49
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile (CID 155389258) is 5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1cncc(Cn2ncc3ncc(-c4ccc(C(F)(F)F)s4)cc32)c1.
What is the InChIKey of 5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is FMAHDTFOTYXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5S/c19-18(20,21)17-2-1-16(27-17)13-4-15-14(24-8-13)9-25-26(15)10-12-3-11(5-22)6-23-7-12/h1-4,6-9H,10H2.
What are the key properties of 5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 385.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 155389258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).