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

C25H25N7O5S2 — CID 176871282

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

N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 176871282) has the molecular formula C25H25N7O5S2 and a molecular weight of 567.65 g/mol. Its IUPAC name is N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
• PubChem CID: 176871282
• Molecular Formula: C25H25N7O5S2
• Molecular Weight: 567.65 g/mol
• Exact Mass: 567.14
• IUPAC Name: N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
• SMILES: CCOc1cncc(-c2cnc(C(=O)N[C@H](Cn3ccccc3=O)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
• InChI: InChI=1S/C25H25N7O5S2/c1-2-37-22-14-26-12-19(29-22)21-13-28-25(38-21)24(34)30-20(15-32-10-4-3-5-23(32)33)18-11-16(8-9-27-18)31-39(35,36)17-6-7-17/h3-5,8-14,17,20H,2,6-7,15H2,1H3,(H,27,31)(H,30,34)/t20-/m1/s1
• InChIKey: IGNUVXDOJJPTNV-HXUWFJFHSA-N
• XLogP: 2.63
• TPSA: 158.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.65
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 176871282) is N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

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

The canonical SMILES for N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)N[C@H](Cn3ccccc3=O)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1.

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

The InChIKey is IGNUVXDOJJPTNV-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25N7O5S2/c1-2-37-22-14-26-12-19(29-22)21-13-28-25(38-21)24(34)30-20(15-32-10-4-3-5-23(32)33)18-11-16(8-9-27-18)31-39(35,36)17-6-7-17/h3-5,8-14,17,20H,2,6-7,15H2,1H3,(H,27,31)(H,30,34)/t20-/m1/s1.

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

N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 567.65 g/mol, XLogP of 2.63, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 176871282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).