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

C28H32ClN7O3S2 — CID 169251456

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

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methyl-3-piperidin-1-ylpropyl]-1,3-thiazole-2-carboxamide (PubChem CID 169251456) has the molecular formula C28H32ClN7O3S2 and a molecular weight of 614.20 g/mol. Its IUPAC name is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methyl-3-piperidin-1-ylpropyl]-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]-2-methyl-3-piperidin-1-ylpropyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 169251456
• Molecular Formula: C28H32ClN7O3S2
• Molecular Weight: 614.20 g/mol
• Exact Mass: 613.17
• IUPAC Name: 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methyl-3-piperidin-1-ylpropyl]-1,3-thiazole-2-carboxamide
• SMILES: C[C@H](CN1CCCCC1)[C@@H](NC(=O)c1ncc(-c2cnn3ccc(Cl)cc23)s1)c1cc(NS(=O)(=O)C2CC2)ccn1
• InChI: InChI=1S/C28H32ClN7O3S2/c1-18(17-35-10-3-2-4-11-35)26(23-14-20(7-9-30-23)34-41(38,39)21-5-6-21)33-27(37)28-31-16-25(40-28)22-15-32-36-12-8-19(29)13-24(22)36/h7-9,12-16,18,21,26H,2-6,10-11,17H2,1H3,(H,30,34)(H,33,37)/t18-,26-/m1/s1
• InChIKey: VCWHDRUMWOSOEN-WXTAPIANSA-N
• XLogP: 5.00
• TPSA: 121.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.20
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
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]-2-methyl-3-piperidin-1-ylpropyl]-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]-2-methyl-3-piperidin-1-ylpropyl]-1,3-thiazole-2-carboxamide (CID 169251456) is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methyl-3-piperidin-1-ylpropyl]-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]-2-methyl-3-piperidin-1-ylpropyl]-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]-2-methyl-3-piperidin-1-ylpropyl]-1,3-thiazole-2-carboxamide is C[C@H](CN1CCCCC1)[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]-2-methyl-3-piperidin-1-ylpropyl]-1,3-thiazole-2-carboxamide?

The InChIKey is VCWHDRUMWOSOEN-WXTAPIANSA-N. The full InChI is InChI=1S/C28H32ClN7O3S2/c1-18(17-35-10-3-2-4-11-35)26(23-14-20(7-9-30-23)34-41(38,39)21-5-6-21)33-27(37)28-31-16-25(40-28)22-15-32-36-12-8-19(29)13-24(22)36/h7-9,12-16,18,21,26H,2-6,10-11,17H2,1H3,(H,30,34)(H,33,37)/t18-,26-/m1/s1.

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

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methyl-3-piperidin-1-ylpropyl]-1,3-thiazole-2-carboxamide has a molecular weight of 614.20 g/mol, XLogP of 5.00, 10 rotatable bonds, 2 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]-2-methyl-3-piperidin-1-ylpropyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).