8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

C22H24N10OS — CID 118168273

About 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168273) has the molecular formula C22H24N10OS and a molecular weight of 476.57 g/mol. Its IUPAC name is 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118168273
• Molecular Formula: C22H24N10OS
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.19
• IUPAC Name: 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: Cc1cnc(-c2cnc3c(-n4nncc4C(C)(C)C)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
• InChI: InChI=1S/C22H24N10OS/c1-12-7-24-21(34-12)16-8-23-19-15(32-17(9-26-30-32)22(3,4)5)6-14(10-31(16)19)20(33)28-13(2)18-25-11-27-29-18/h6-11,13H,1-5H3,(H,28,33)(H,25,27,29)/t13-/m0/s1
• InChIKey: RQKKVWIVRCOMAM-ZDUSSCGKSA-N
• XLogP: 3.25
• TPSA: 131.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168273) is 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1cnc(-c2cnc3c(-n4nncc4C(C)(C)C)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1.

What is the InChIKey of 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is RQKKVWIVRCOMAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H24N10OS/c1-12-7-24-21(34-12)16-8-23-19-15(32-17(9-26-30-32)22(3,4)5)6-14(10-31(16)19)20(33)28-13(2)18-25-11-27-29-18/h6-11,13H,1-5H3,(H,28,33)(H,25,27,29)/t13-/m0/s1.

What are the key properties of 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5-tert-butyltriazol-1-yl)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).