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

C18H11F2N5S — CID 155389213

IUPAC5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Cn2ncc3ncc(-c4ccc(C(F)F)s4)cc32)c1
InChIInChI=1S/C18H11F2N5S/c19-18(20)17-2-1-16(26-17)13-4-15-14(23-8-13)9-24-25(15)10-12-3-11(5-21)6-22-7-12/h1-4,6-9,18H,10H2
InChIKeyWLFBJOJCPRTFAT-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.41
Rot. Bonds4

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

5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 155389213) has the molecular formula C18H11F2N5S and a molecular weight of 367.38 g/mol. Its IUPAC name is 5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID155389213
Molecular FormulaC18H11F2N5S
Molecular Weight367.38 g/mol
Exact Mass367.07
IUPAC Name5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Cn2ncc3ncc(-c4ccc(C(F)F)s4)cc32)c1
InChIInChI=1S/C18H11F2N5S/c19-18(20)17-2-1-16(26-17)13-4-15-14(23-8-13)9-24-25(15)10-12-3-11(5-21)6-22-7-12/h1-4,6-9,18H,10H2
InChIKeyWLFBJOJCPRTFAT-UHFFFAOYSA-N
XLogP4.41
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile (CID 155389213) is 5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1cncc(Cn2ncc3ncc(-c4ccc(C(F)F)s4)cc32)c1.
What is the InChIKey of 5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is WLFBJOJCPRTFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5S/c19-18(20)17-2-1-16(26-17)13-4-15-14(23-8-13)9-24-25(15)10-12-3-11(5-21)6-22-7-12/h1-4,6-9,18H,10H2.
What are the key properties of 5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 367.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[5-(difluoromethyl)thiophen-2-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 155389213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).