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

C17H10ClN5S — CID 155388766

IUPAC5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Cn2ncc3ncc(-c4ccc(Cl)s4)cc32)c1
InChIInChI=1S/C17H10ClN5S/c18-17-2-1-16(24-17)13-4-15-14(21-8-13)9-22-23(15)10-12-3-11(5-19)6-20-7-12/h1-4,6-9H,10H2
InChIKeyCHESRMWIGQDDGP-UHFFFAOYSA-N
MW351.82 g/mol
LogP4.13
Rot. Bonds3

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

5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 155388766) has the molecular formula C17H10ClN5S and a molecular weight of 351.82 g/mol. Its IUPAC name is 5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID155388766
Molecular FormulaC17H10ClN5S
Molecular Weight351.82 g/mol
Exact Mass351.03
IUPAC Name5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Cn2ncc3ncc(-c4ccc(Cl)s4)cc32)c1
InChIInChI=1S/C17H10ClN5S/c18-17-2-1-16(24-17)13-4-15-14(21-8-13)9-22-23(15)10-12-3-11(5-19)6-20-7-12/h1-4,6-9H,10H2
InChIKeyCHESRMWIGQDDGP-UHFFFAOYSA-N
XLogP4.13
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

US10377753, Example 130
CID 124175977
US20230339900, Example 118
CID 162760816
2-Phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145985931
5-[[6-[5-(Difluoromethyl)thiophen-2-yl]pyrazolo[4,3-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
CID 155389213
5-[[6-[5-(Trifluoromethyl)thiophen-2-yl]pyrazolo[4,3-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
CID 155389258
5-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]thiophene-2-carbonitrile
CID 155389705
1-[(6-Fluoropyridin-3-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,3-b]pyridine
CID 155399972
5-(1-Methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine
CID 171934755
5-(1-Methylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine
CID 171934756
4-[(2-Chloro-4-fluorobenzyl)thio]-2-(2-thienyl)pyrazolo[1,5-a]pyrazine
CID 27373095
1-[(5-Chlorothiophen-2-yl)methyl]-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine
CID 53546121
6-[3-(Difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,3-b]pyridine
CID 155389305

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile (CID 155388766) is 5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1cncc(Cn2ncc3ncc(-c4ccc(Cl)s4)cc32)c1.
What is the InChIKey of 5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is CHESRMWIGQDDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN5S/c18-17-2-1-16(24-17)13-4-15-14(21-8-13)9-22-23(15)10-12-3-11(5-19)6-20-7-12/h1-4,6-9H,10H2.
What are the key properties of 5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 351.82 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 155388766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).