8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide

C17H14ClFN6O2S2 — CID 177049570

IUPAC8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2cn3c(-c4nnc(C5(C#N)CC5)s4)cnc3c(Cl)c2F)CC1
InChIInChI=1S/C17H14ClFN6O2S2/c1-16(2-3-16)24-29(26,27)10-7-25-9(6-21-13(25)11(18)12(10)19)14-22-23-15(28-14)17(8-20)4-5-17/h6-7,24H,2-5H2,1H3
InChIKeyUIARRQACUFADBH-UHFFFAOYSA-N
MW452.92 g/mol
LogP3.03
Rot. Bonds5

About 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide

8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide (PubChem CID 177049570) has the molecular formula C17H14ClFN6O2S2 and a molecular weight of 452.92 g/mol. Its IUPAC name is 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
PubChem CID177049570
Molecular FormulaC17H14ClFN6O2S2
Molecular Weight452.92 g/mol
Exact Mass452.03
IUPAC Name8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2cn3c(-c4nnc(C5(C#N)CC5)s4)cnc3c(Cl)c2F)CC1
InChIInChI=1S/C17H14ClFN6O2S2/c1-16(2-3-16)24-29(26,27)10-7-25-9(6-21-13(25)11(18)12(10)19)14-22-23-15(28-14)17(8-20)4-5-17/h6-7,24H,2-5H2,1H3
InChIKeyUIARRQACUFADBH-UHFFFAOYSA-N
XLogP3.03
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?
The IUPAC name of 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide (CID 177049570) is 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide.
What is the SMILES notation for 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?
The canonical SMILES for 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide is CC1(NS(=O)(=O)c2cn3c(-c4nnc(C5(C#N)CC5)s4)cnc3c(Cl)c2F)CC1.
What is the InChIKey of 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?
The InChIKey is UIARRQACUFADBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN6O2S2/c1-16(2-3-16)24-29(26,27)10-7-25-9(6-21-13(25)11(18)12(10)19)14-22-23-15(28-14)17(8-20)4-5-17/h6-7,24H,2-5H2,1H3.
What are the key properties of 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?
8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide has a molecular weight of 452.92 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 177049570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).