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

C26H30FN7O3S2 — CID 177049677

IUPAC3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide
SMILESCC(C)C(=O)N1CCC(F)(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C5(C#N)CC5)s4)ncc23)CC1
InChIInChI=1S/C26H30FN7O3S2/c1-16(2)22(35)33-10-8-26(27,9-11-33)18-12-17(39(36,37)32-24(3)4-5-24)14-34-19(18)13-29-20(34)21-30-31-23(38-21)25(15-28)6-7-25/h12-14,16,32H,4-11H2,1-3H3
InChIKeyXOHFZIZDGGNUMX-UHFFFAOYSA-N
MW571.70 g/mol
LogP3.68
Rot. Bonds7

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

3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide (PubChem CID 177049677) has the molecular formula C26H30FN7O3S2 and a molecular weight of 571.70 g/mol. Its IUPAC name is 3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide
PubChem CID177049677
Molecular FormulaC26H30FN7O3S2
Molecular Weight571.70 g/mol
Exact Mass571.18
IUPAC Name3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide
SMILESCC(C)C(=O)N1CCC(F)(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C5(C#N)CC5)s4)ncc23)CC1
InChIInChI=1S/C26H30FN7O3S2/c1-16(2)22(35)33-10-8-26(27,9-11-33)18-12-17(39(36,37)32-24(3)4-5-24)14-34-19(18)13-29-20(34)21-30-31-23(38-21)25(15-28)6-7-25/h12-14,16,32H,4-11H2,1-3H3
InChIKeyXOHFZIZDGGNUMX-UHFFFAOYSA-N
XLogP3.68
TPSA133.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.70
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(1R,6S)-3-(2-methylpropanoyl)-3-azabicyclo[4.1.0]heptan-6-yl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 177049225
1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(1S,6R)-3-(2-methylpropanoyl)-3-azabicyclo[4.1.0]heptan-6-yl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 177049282
1-[5-[6-[[1-(fluoromethyl)cyclopropyl]amino]sulfanyl-8-[3-(2-methylpropanoyl)-3-azabicyclo[4.1.0]heptan-6-yl]imidazo[1,5-a]pyridin-3-yl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carbonitrile
CID 177049351
4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)sulfamoyl]imidazo[1,2-a]pyridin-8-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 177049345
1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 177049690
3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-(3-fluoroazetidine-1-carbonyl)piperazin-1-yl]-N-[1-(fluoromethyl)cyclopropyl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 177049498
N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide
CID 177049734
1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 177049406
N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 178144223
1-(3-azabicyclo[4.1.0]heptan-3-yl)-2-methylpropan-1-one;1-[5-[6-[[1-(fluoromethyl)cyclopropyl]amino]sulfanylimidazo[1,5-a]pyridin-3-yl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carbonitrile
CID 177049526
N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 170566968
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

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide?
The IUPAC name of 3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide (CID 177049677) is 3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide.
What is the SMILES notation for 3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide?
The canonical SMILES for 3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide is CC(C)C(=O)N1CCC(F)(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C5(C#N)CC5)s4)ncc23)CC1.
What is the InChIKey of 3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide?
The InChIKey is XOHFZIZDGGNUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O3S2/c1-16(2)22(35)33-10-8-26(27,9-11-33)18-12-17(39(36,37)32-24(3)4-5-24)14-34-19(18)13-29-20(34)21-30-31-23(38-21)25(15-28)6-7-25/h12-14,16,32H,4-11H2,1-3H3.
What are the key properties of 3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide?
3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide has a molecular weight of 571.70 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide is sourced from PubChem (CID 177049677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).