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

C23H23ClN6O4S2 — CID 169251075

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

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide (PubChem CID 169251075) 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-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 169251075
• 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-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide
• SMILES: COCC[C@H](NC(=O)c1ncc(-c2cnn3ccc(Cl)cc23)s1)c1cc(NS(=O)(=O)C2CC2)ccn1
• InChI: InChI=1S/C23H23ClN6O4S2/c1-34-9-6-18(19-11-15(4-7-25-19)29-36(32,33)16-2-3-16)28-22(31)23-26-13-21(35-23)17-12-27-30-8-5-14(24)10-20(17)30/h4-5,7-8,10-13,16,18H,2-3,6,9H2,1H3,(H,25,29)(H,28,31)/t18-/m0/s1
• InChIKey: FIQZBAWPRZKEIS-SFHVURJKSA-N
• XLogP: 3.92
• TPSA: 127.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.06
LogP ≤ 5	3.92
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-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide (CID 169251075) is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide.

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

The canonical SMILES for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide is COCC[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-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide?

The InChIKey is FIQZBAWPRZKEIS-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23ClN6O4S2/c1-34-9-6-18(19-11-15(4-7-25-19)29-36(32,33)16-2-3-16)28-22(31)23-26-13-21(35-23)17-12-27-30-8-5-14(24)10-20(17)30/h4-5,7-8,10-13,16,18H,2-3,6,9H2,1H3,(H,25,29)(H,28,31)/t18-/m0/s1.

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

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide has a molecular weight of 547.06 g/mol, XLogP of 3.92, 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-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).