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

C24H29N9O3S2 — CID 177049345

About 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

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 (PubChem CID 177049345) has the molecular formula C24H29N9O3S2 and a molecular weight of 555.69 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 177049345
• Molecular Formula: C24H29N9O3S2
• Molecular Weight: 555.69 g/mol
• Exact Mass: 555.18
• IUPAC Name: 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
• SMILES: CN(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C5(C#N)CC5)s4)cnc23)CC1
• InChI: InChI=1S/C24H29N9O3S2/c1-23(4-5-23)29-38(35,36)16-12-17(31-8-10-32(11-9-31)22(34)30(2)3)19-26-13-18(33(19)14-16)20-27-28-21(37-20)24(15-25)6-7-24/h12-14,29H,4-11H2,1-3H3
• InChIKey: NJBFQOKBQJZQJE-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 139.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.69
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C5(C#N)CC5)s4)cnc23)CC1.

What is the InChIKey of 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?

The InChIKey is NJBFQOKBQJZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O3S2/c1-23(4-5-23)29-38(35,36)16-12-17(31-8-10-32(11-9-31)22(34)30(2)3)19-26-13-18(33(19)14-16)20-27-28-21(37-20)24(15-25)6-7-24/h12-14,29H,4-11H2,1-3H3.

What are the key properties of 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?

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 has a molecular weight of 555.69 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 177049345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).