N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide

C24H28FN7O4S2 — CID 167034889

About N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide

N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide (PubChem CID 167034889) has the molecular formula C24H28FN7O4S2 and a molecular weight of 561.67 g/mol. Its IUPAC name is N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide
• PubChem CID: 167034889
• Molecular Formula: C24H28FN7O4S2
• Molecular Weight: 561.67 g/mol
• Exact Mass: 561.16
• IUPAC Name: N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide
• SMILES: CCOc1cncc(-c2cnc(C(=O)N(C)[C@H](CN3CC(F)C3)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
• InChI: InChI=1S/C24H28FN7O4S2/c1-3-36-22-11-26-9-19(29-22)21-10-28-23(37-21)24(33)31(2)20(14-32-12-15(25)13-32)18-8-16(6-7-27-18)30-38(34,35)17-4-5-17/h6-11,15,17,20H,3-5,12-14H2,1-2H3,(H,27,30)/t20-/m1/s1
• InChIKey: MIPMLHORWKGXQK-HXUWFJFHSA-N
• XLogP: 2.76
• TPSA: 130.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.67
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide (CID 167034889) is N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)N(C)[C@H](CN3CC(F)C3)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1.

What is the InChIKey of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide?

The InChIKey is MIPMLHORWKGXQK-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28FN7O4S2/c1-3-36-22-11-26-9-19(29-22)21-10-28-23(37-21)24(33)31(2)20(14-32-12-15(25)13-32)18-8-16(6-7-27-18)30-38(34,35)17-4-5-17/h6-11,15,17,20H,3-5,12-14H2,1-2H3,(H,27,30)/t20-/m1/s1.

What are the key properties of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide?

N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 561.67 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-N-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 167034889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).