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

C22H17N5OS — CID 24957775

IUPAC[3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccn3c(-c4cccc(Nc5nncs5)c4)cnc3c2)c1
InChIInChI=1S/C22H17N5OS/c28-13-15-3-1-4-16(9-15)17-7-8-27-20(12-23-21(27)11-17)18-5-2-6-19(10-18)25-22-26-24-14-29-22/h1-12,14,28H,13H2,(H,25,26)
InChIKeyJLANAIDDBYGNJQ-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.76
Rot. Bonds5

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

[3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol (PubChem CID 24957775) has the molecular formula C22H17N5OS and a molecular weight of 399.48 g/mol. Its IUPAC name is [3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol
PubChem CID24957775
Molecular FormulaC22H17N5OS
Molecular Weight399.48 g/mol
Exact Mass399.12
IUPAC Name[3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccn3c(-c4cccc(Nc5nncs5)c4)cnc3c2)c1
InChIInChI=1S/C22H17N5OS/c28-13-15-3-1-4-16(9-15)17-7-8-27-20(12-23-21(27)11-17)18-5-2-6-19(10-18)25-22-26-24-14-29-22/h1-12,14,28H,13H2,(H,25,26)
InChIKeyJLANAIDDBYGNJQ-UHFFFAOYSA-N
XLogP4.76
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[3-(hydroxymethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 24955152
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
[3-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711858
[4-[6-[(3-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 122179543
[4-[6-(1-Methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155555121
[4-[6-[(4-Fluorophenyl) methylamino] imidazo[1,2-b]pyridazin-3-yl]phenyl] methanol
CID 58857808
[4-[3-[3-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
CID 117769673
N-[3-(4-fluorophenyl)-6-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49795128
[3-[3-(3-Fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 134805372
[3-[3-[3-(Trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 134806351
N-[3-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanesulfonamide
CID 155520151
[4-[6-[4-(Anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155552852

Frequently Asked Questions

What is the IUPAC name of [3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol?
The IUPAC name of [3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol (CID 24957775) is [3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol?
The canonical SMILES for [3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol is OCc1cccc(-c2ccn3c(-c4cccc(Nc5nncs5)c4)cnc3c2)c1.
What is the InChIKey of [3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol?
The InChIKey is JLANAIDDBYGNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS/c28-13-15-3-1-4-16(9-15)17-7-8-27-20(12-23-21(27)11-17)18-5-2-6-19(10-18)25-22-26-24-14-29-22/h1-12,14,28H,13H2,(H,25,26).
What are the key properties of [3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol?
[3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol has a molecular weight of 399.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methanol is sourced from PubChem (CID 24957775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).