N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide

C23H18N6OS — CID 24957399

IUPACN-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
SMILESCNC(=O)c1ccc(-c2ccn3c(-c4cccc(Nc5nncs5)c4)cnc3c2)cc1
InChIInChI=1S/C23H18N6OS/c1-24-22(30)16-7-5-15(6-8-16)17-9-10-29-20(13-25-21(29)12-17)18-3-2-4-19(11-18)27-23-28-26-14-31-23/h2-14H,1H3,(H,24,30)(H,27,28)
InChIKeyDLHRTPNOKROQMO-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.62
Rot. Bonds5

About N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide

N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide (PubChem CID 24957399) has the molecular formula C23H18N6OS and a molecular weight of 426.51 g/mol. Its IUPAC name is N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
PubChem CID24957399
Molecular FormulaC23H18N6OS
Molecular Weight426.51 g/mol
Exact Mass426.13
IUPAC NameN-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
SMILESCNC(=O)c1ccc(-c2ccn3c(-c4cccc(Nc5nncs5)c4)cnc3c2)cc1
InChIInChI=1S/C23H18N6OS/c1-24-22(30)16-7-5-15(6-8-16)17-9-10-29-20(13-25-21(29)12-17)18-3-2-4-19(11-18)27-23-28-26-14-31-23/h2-14H,1H3,(H,24,30)(H,27,28)
InChIKeyDLHRTPNOKROQMO-UHFFFAOYSA-N
XLogP4.62
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide?
The IUPAC name of N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide (CID 24957399) is N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide.
What is the SMILES notation for N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide?
The canonical SMILES for N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide is CNC(=O)c1ccc(-c2ccn3c(-c4cccc(Nc5nncs5)c4)cnc3c2)cc1.
What is the InChIKey of N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide?
The InChIKey is DLHRTPNOKROQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6OS/c1-24-22(30)16-7-5-15(6-8-16)17-9-10-29-20(13-25-21(29)12-17)18-3-2-4-19(11-18)27-23-28-26-14-31-23/h2-14H,1H3,(H,24,30)(H,27,28).
What are the key properties of N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide?
N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide has a molecular weight of 426.51 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide is sourced from PubChem (CID 24957399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).