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

C16H11ClN4S — CID 155388703

IUPAC6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESClc1ccsc1-c1cnc2cnn(Cc3cccnc3)c2c1
InChIInChI=1S/C16H11ClN4S/c17-13-3-5-22-16(13)12-6-15-14(19-8-12)9-20-21(15)10-11-2-1-4-18-7-11/h1-9H,10H2
InChIKeyGNFFFCXWKKDYHD-UHFFFAOYSA-N
MW326.81 g/mol
LogP4.26
Rot. Bonds3

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

6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 155388703) has the molecular formula C16H11ClN4S and a molecular weight of 326.81 g/mol. Its IUPAC name is 6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID155388703
Molecular FormulaC16H11ClN4S
Molecular Weight326.81 g/mol
Exact Mass326.04
IUPAC Name6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESClc1ccsc1-c1cnc2cnn(Cc3cccnc3)c2c1
InChIInChI=1S/C16H11ClN4S/c17-13-3-5-22-16(13)12-6-15-14(19-8-12)9-20-21(15)10-11-2-1-4-18-7-11/h1-9H,10H2
InChIKeyGNFFFCXWKKDYHD-UHFFFAOYSA-N
XLogP4.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine (CID 155388703) is 6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine is Clc1ccsc1-c1cnc2cnn(Cc3cccnc3)c2c1.
What is the InChIKey of 6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is GNFFFCXWKKDYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4S/c17-13-3-5-22-16(13)12-6-15-14(19-8-12)9-20-21(15)10-11-2-1-4-18-7-11/h1-9H,10H2.
What are the key properties of 6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 326.81 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).