4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide

C48H50N18O4S2 — CID 90240758

About 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 90240758) has the molecular formula C48H50N18O4S2 and a molecular weight of 1007.18 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-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-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-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide
• PubChem CID: 90240758
• Molecular Formula: C48H50N18O4S2
• Molecular Weight: 1007.18 g/mol
• Exact Mass: 1006.37
• IUPAC Name: 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide
• SMILES: CC1(O)CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1.O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1
• InChI: InChI=1S/2C24H25N9O2S/c1-24(35)10-32(11-24)19-7-25-16(6-18(19)31-8-17(26-12-31)14-2-3-14)22(34)28-20-9-36-23(29-20)21-30-27-13-33(21)15-4-5-15;34-23(28-21-12-36-24(29-21)22-30-27-14-33(22)16-3-4-16)17-9-19(32-11-18(26-13-32)15-1-2-15)20(10-25-17)31-5-7-35-8-6-31/h6-9,12-15,35H,2-5,10-11H2,1H3,(H,28,34);9-16H,1-8H2,(H,28,34)
• InChIKey: QSNZGHAMBNRUPB-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 242.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.18
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-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-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide (CID 90240758) is 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-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-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-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-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide is CC1(O)CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1.O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1.

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-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide?

The InChIKey is QSNZGHAMBNRUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25N9O2S/c1-24(35)10-32(11-24)19-7-25-16(6-18(19)31-8-17(26-12-31)14-2-3-14)22(34)28-20-9-36-23(29-20)21-30-27-13-33(21)15-4-5-15;34-23(28-21-12-36-24(29-21)22-30-27-14-33(22)16-3-4-16)17-9-19(32-11-18(26-13-32)15-1-2-15)20(10-25-17)31-5-7-35-8-6-31/h6-9,12-15,35H,2-5,10-11H2,1H3,(H,28,34);9-16H,1-8H2,(H,28,34).

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-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide?

4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 1007.18 g/mol, XLogP of 6.30, 14 rotatable bonds, 3 hydrogen bond donors, and 22 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-(3-hydroxy-3-methylazetidin-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-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 90240758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).