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

C23H23ClN6O4S2 — CID 170347081

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

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide (PubChem CID 170347081) 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,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 170347081
• 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,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide
• SMILES: C[C@@H](CO)[C@@H](NC(=O)c1ncc(-c2cnn3ccc(Cl)cc23)s1)c1cc(NS(=O)(=O)C2CC2)ccn1
• InChI: InChI=1S/C23H23ClN6O4S2/c1-13(12-31)21(18-9-15(4-6-25-18)29-36(33,34)16-2-3-16)28-22(32)23-26-11-20(35-23)17-10-27-30-7-5-14(24)8-19(17)30/h4-11,13,16,21,31H,2-3,12H2,1H3,(H,25,29)(H,28,32)/t13-,21+/m0/s1
• InChIKey: HWZFUFIKGPTXHU-YEJXKQKISA-N
• XLogP: 3.51
• TPSA: 138.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.06
LogP ≤ 5	3.51
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,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide (CID 170347081) is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-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,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide is C[C@@H](CO)[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,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide?

The InChIKey is HWZFUFIKGPTXHU-YEJXKQKISA-N. The full InChI is InChI=1S/C23H23ClN6O4S2/c1-13(12-31)21(18-9-15(4-6-25-18)29-36(33,34)16-2-3-16)28-22(32)23-26-11-20(35-23)17-10-27-30-7-5-14(24)8-19(17)30/h4-11,13,16,21,31H,2-3,12H2,1H3,(H,25,29)(H,28,32)/t13-,21+/m0/s1.

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

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide has a molecular weight of 547.06 g/mol, XLogP of 3.51, 9 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,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-hydroxy-2-methylpropyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 170347081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).