2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate

C24H29ClFN9O4S2 — CID 178118084

About 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate

2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate (PubChem CID 178118084) has the molecular formula C24H29ClFN9O4S2 and a molecular weight of 626.14 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate
• PubChem CID: 178118084
• Molecular Formula: C24H29ClFN9O4S2
• Molecular Weight: 626.14 g/mol
• Exact Mass: 625.15
• IUPAC Name: 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate
• SMILES: CC(F)c1nnc(-c2nc(Cl)c3c(N4CCN(C(=O)OCCN(C)C)CC4)cc(S(=O)(=O)NC4(C#N)CC4)cn23)s1
• InChI: InChI=1S/C24H29ClFN9O4S2/c1-15(26)21-29-30-22(40-21)20-28-19(25)18-17(33-6-8-34(9-7-33)23(36)39-11-10-32(2)3)12-16(13-35(18)20)41(37,38)31-24(14-27)4-5-24/h12-13,15,31H,4-11H2,1-3H3
• InChIKey: APLDGFNIRXEFSU-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 149.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.14
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate?

The IUPAC name of 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate (CID 178118084) is 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate.

What is the SMILES notation for 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate?

The canonical SMILES for 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate is CC(F)c1nnc(-c2nc(Cl)c3c(N4CCN(C(=O)OCCN(C)C)CC4)cc(S(=O)(=O)NC4(C#N)CC4)cn23)s1.

What is the InChIKey of 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate?

The InChIKey is APLDGFNIRXEFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN9O4S2/c1-15(26)21-29-30-22(40-21)20-28-19(25)18-17(33-6-8-34(9-7-33)23(36)39-11-10-32(2)3)12-16(13-35(18)20)41(37,38)31-24(14-27)4-5-24/h12-13,15,31H,4-11H2,1-3H3.

What are the key properties of 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate?

2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate has a molecular weight of 626.14 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl 4-[1-chloro-6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carboxylate is sourced from PubChem (CID 178118084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).