5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide

C23H23ClN6O4S2 — CID 169251107

About 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide (PubChem CID 169251107) has the molecular formula C23H23ClN6O4S2 and a molecular weight of 547.06 g/mol. Its IUPAC name is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 169251107
• Molecular Formula: C23H23ClN6O4S2
• Molecular Weight: 547.06 g/mol
• Exact Mass: 546.09
• IUPAC Name: 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide
• SMILES: CC(C)(O)[C@H](NC(=O)c1ncc(-c2cnn3ccc(Cl)cc23)s1)c1cc(NS(=O)(=O)C2CC2)ccn1
• InChI: InChI=1S/C23H23ClN6O4S2/c1-23(2,32)20(17-10-14(5-7-25-17)29-36(33,34)15-3-4-15)28-21(31)22-26-12-19(35-22)16-11-27-30-8-6-13(24)9-18(16)30/h5-12,15,20,32H,3-4H2,1-2H3,(H,25,29)(H,28,31)/t20-/m1/s1
• InChIKey: FHPBUCDWPYLLTK-HXUWFJFHSA-N
• XLogP: 3.65
• TPSA: 138.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.06
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide (CID 169251107) is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide is CC(C)(O)[C@H](NC(=O)c1ncc(-c2cnn3ccc(Cl)cc23)s1)c1cc(NS(=O)(=O)C2CC2)ccn1.

What is the InChIKey of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide?

The InChIKey is FHPBUCDWPYLLTK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23ClN6O4S2/c1-23(2,32)20(17-10-14(5-7-25-17)29-36(33,34)15-3-4-15)28-21(31)22-26-12-19(35-22)16-11-27-30-8-6-13(24)9-18(16)30/h5-12,15,20,32H,3-4H2,1-2H3,(H,25,29)(H,28,31)/t20-/m1/s1.

What are the key properties of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide?

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide has a molecular weight of 547.06 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).