8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H19F2N9OS — CID 118168072

About 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168072) has the molecular formula C21H19F2N9OS and a molecular weight of 483.51 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118168072
• Molecular Formula: C21H19F2N9OS
• Molecular Weight: 483.51 g/mol
• Exact Mass: 483.14
• IUPAC Name: 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC[C@H](NC(=O)c1cc(-n2nncc2C(F)F)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1
• InChI: InChI=1S/C21H19F2N9OS/c1-3-13(19-25-10-27-29-19)28-21(33)12-6-14(32-16(18(22)23)8-26-30-32)20-24-7-15(31(20)9-12)17-5-4-11(2)34-17/h4-10,13,18H,3H2,1-2H3,(H,28,33)(H,25,27,29)/t13-/m0/s1
• InChIKey: PGUNHPIZGMWAKT-ZDUSSCGKSA-N
• XLogP: 3.89
• TPSA: 118.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.51
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168072) is 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide is CC[C@H](NC(=O)c1cc(-n2nncc2C(F)F)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1.

What is the InChIKey of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is PGUNHPIZGMWAKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19F2N9OS/c1-3-13(19-25-10-27-29-19)28-21(33)12-6-14(32-16(18(22)23)8-26-30-32)20-24-7-15(31(20)9-12)17-5-4-11(2)34-17/h4-10,13,18H,3H2,1-2H3,(H,28,33)(H,25,27,29)/t13-/m0/s1.

What are the key properties of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?

8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 483.51 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).