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

C23H23ClN6O2S2 — CID 169251329

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

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide (PubChem CID 169251329) has the molecular formula C23H23ClN6O2S2 and a molecular weight of 515.06 g/mol. Its IUPAC name is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 169251329
• Molecular Formula: C23H23ClN6O2S2
• Molecular Weight: 515.06 g/mol
• Exact Mass: 514.10
• IUPAC Name: 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide
• SMILES: COCCC(NC(=O)c1ncc(-c2cnn3ccc(Cl)cc23)s1)c1cc(NSC2CC2)ccn1
• InChI: InChI=1S/C23H23ClN6O2S2/c1-32-9-6-18(19-11-15(4-7-25-19)29-34-16-2-3-16)28-22(31)23-26-13-21(33-23)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)
• InChIKey: XIIPYHMQXRICQP-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 93.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.06
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide (CID 169251329) is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[1-[4-(cyclopropylsulfanylamino)-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-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide is COCCC(NC(=O)c1ncc(-c2cnn3ccc(Cl)cc23)s1)c1cc(NSC2CC2)ccn1.

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

The InChIKey is XIIPYHMQXRICQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2S2/c1-32-9-6-18(19-11-15(4-7-25-19)29-34-16-2-3-16)28-22(31)23-26-13-21(33-23)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).

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

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide has a molecular weight of 515.06 g/mol, XLogP of 5.24, 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-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-3-methoxypropyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).