3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide

C21H28F2N6O2S2 — CID 177147439

IUPAC3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide
SMILESCCCN(CCC)c1cc(S(=O)(=O)NC2(C)CC2C)cn2c(-c3nnc(C(F)F)s3)ncc12
InChIInChI=1S/C21H28F2N6O2S2/c1-5-7-28(8-6-2)15-9-14(33(30,31)27-21(4)10-13(21)3)12-29-16(15)11-24-18(29)20-26-25-19(32-20)17(22)23/h9,11-13,17,27H,5-8,10H2,1-4H3
InChIKeyXRMIXSCZBZLFGE-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.49
Rot. Bonds10

About 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide

3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide (PubChem CID 177147439) has the molecular formula C21H28F2N6O2S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide
PubChem CID177147439
Molecular FormulaC21H28F2N6O2S2
Molecular Weight498.63 g/mol
Exact Mass498.17
IUPAC Name3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide
SMILESCCCN(CCC)c1cc(S(=O)(=O)NC2(C)CC2C)cn2c(-c3nnc(C(F)F)s3)ncc12
InChIInChI=1S/C21H28F2N6O2S2/c1-5-7-28(8-6-2)15-9-14(33(30,31)27-21(4)10-13(21)3)12-29-16(15)11-24-18(29)20-26-25-19(32-20)17(22)23/h9,11-13,17,27H,5-8,10H2,1-4H3
InChIKeyXRMIXSCZBZLFGE-UHFFFAOYSA-N
XLogP4.49
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide (CID 177147439) is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide is CCCN(CCC)c1cc(S(=O)(=O)NC2(C)CC2C)cn2c(-c3nnc(C(F)F)s3)ncc12.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide?
The InChIKey is XRMIXSCZBZLFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N6O2S2/c1-5-7-28(8-6-2)15-9-14(33(30,31)27-21(4)10-13(21)3)12-29-16(15)11-24-18(29)20-26-25-19(32-20)17(22)23/h9,11-13,17,27H,5-8,10H2,1-4H3.
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide?
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide has a molecular weight of 498.63 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide is sourced from PubChem (CID 177147439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).