N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide

C21H17N5OS — CID 175999656

IUPACN-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide
SMILESCNC(=O)c1ccccc1Sc1cnc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C21H17N5OS/c1-22-21(27)16-7-2-3-8-19(16)28-15-12-18-20(24-13-15)17(25-26-18)10-9-14-6-4-5-11-23-14/h2-13H,1H3,(H,22,27)(H,25,26)/b10-9+
InChIKeyUAHYLDBMUNGUPD-MDZDMXLPSA-N
MW387.47 g/mol
LogP4.03
Rot. Bonds5

About N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide

N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide (PubChem CID 175999656) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide
PubChem CID175999656
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC NameN-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide
SMILESCNC(=O)c1ccccc1Sc1cnc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C21H17N5OS/c1-22-21(27)16-7-2-3-8-19(16)28-15-12-18-20(24-13-15)17(25-26-18)10-9-14-6-4-5-11-23-14/h2-13H,1H3,(H,22,27)(H,25,26)/b10-9+
InChIKeyUAHYLDBMUNGUPD-MDZDMXLPSA-N
XLogP4.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide?
The IUPAC name of N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide (CID 175999656) is N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide.
What is the SMILES notation for N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide?
The canonical SMILES for N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide is CNC(=O)c1ccccc1Sc1cnc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide?
The InChIKey is UAHYLDBMUNGUPD-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H17N5OS/c1-22-21(27)16-7-2-3-8-19(16)28-15-12-18-20(24-13-15)17(25-26-18)10-9-14-6-4-5-11-23-14/h2-13H,1H3,(H,22,27)(H,25,26)/b10-9+.
What are the key properties of N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide?
N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide has a molecular weight of 387.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide is sourced from PubChem (CID 175999656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).