4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide

C27H30N10O2S — CID 91810341

About 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 91810341) has the molecular formula C27H30N10O2S and a molecular weight of 558.67 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
• PubChem CID: 91810341
• Molecular Formula: C27H30N10O2S
• Molecular Weight: 558.67 g/mol
• Exact Mass: 558.23
• IUPAC Name: 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
• SMILES: CNC(=O)C1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1
• InChI: InChI=1S/C27H30N10O2S/c1-28-25(38)17-6-8-35(9-7-17)22-11-29-19(10-21(22)36-12-20(30-14-36)16-2-3-16)26(39)32-23-13-40-27(33-23)24-34-31-15-37(24)18-4-5-18/h10-18H,2-9H2,1H3,(H,28,38)(H,32,39)
• InChIKey: HOYJVUGIPWXZQG-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 135.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.67
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?

The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide (CID 91810341) is 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide is CNC(=O)C1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1.

What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?

The InChIKey is HOYJVUGIPWXZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N10O2S/c1-28-25(38)17-6-8-35(9-7-17)22-11-29-19(10-21(22)36-12-20(30-14-36)16-2-3-16)26(39)32-23-13-40-27(33-23)24-34-31-15-37(24)18-4-5-18/h10-18H,2-9H2,1H3,(H,28,38)(H,32,39).

What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide?

4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 558.67 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 91810341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).