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

C27H30ClN7O3S2 — CID 177049225

About 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

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 (PubChem CID 177049225) has the molecular formula C27H30ClN7O3S2 and a molecular weight of 600.17 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 177049225
• Molecular Formula: C27H30ClN7O3S2
• Molecular Weight: 600.17 g/mol
• Exact Mass: 599.15
• IUPAC Name: 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
• SMILES: CC(C)C(=O)N1CC[C@@]2(c3cc(S(=O)(=O)NC4(C)CC4)cn4c(-c5nnc(C6(C#N)CC6)s5)nc(Cl)c34)C[C@H]2C1
• InChI: InChI=1S/C27H30ClN7O3S2/c1-15(2)23(36)34-9-8-27(11-16(27)12-34)18-10-17(40(37,38)33-25(3)4-5-25)13-35-19(18)20(28)30-21(35)22-31-32-24(39-22)26(14-29)6-7-26/h10,13,15-16,33H,4-9,11-12H2,1-3H3/t16-,27+/m0/s1
• InChIKey: RJAYKGWEDSTGCS-RKOGDMNLSA-N
• XLogP: 4.04
• TPSA: 133.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.17
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)C(=O)N1CC[C@@]2(c3cc(S(=O)(=O)NC4(C)CC4)cn4c(-c5nnc(C6(C#N)CC6)s5)nc(Cl)c34)C[C@H]2C1.

What is the InChIKey of 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?

The InChIKey is RJAYKGWEDSTGCS-RKOGDMNLSA-N. The full InChI is InChI=1S/C27H30ClN7O3S2/c1-15(2)23(36)34-9-8-27(11-16(27)12-34)18-10-17(40(37,38)33-25(3)4-5-25)13-35-19(18)20(28)30-21(35)22-31-32-24(39-22)26(14-29)6-7-26/h10,13,15-16,33H,4-9,11-12H2,1-3H3/t16-,27+/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 600.17 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 177049225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).