(2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol

C17H13ClF2N6O2S — CID 162609313

About (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol

(2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol (PubChem CID 162609313) has the molecular formula C17H13ClF2N6O2S and a molecular weight of 438.85 g/mol. Its IUPAC name is (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol.

Molecular Properties

• Compound Name: (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol
• PubChem CID: 162609313
• Molecular Formula: C17H13ClF2N6O2S
• Molecular Weight: 438.85 g/mol
• Exact Mass: 438.05
• IUPAC Name: (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol
• SMILES: Nc1nc2c(C(O)Nc3cn[nH]c3-c3cc(Cl)ccc3OC(F)F)cncc2s1
• InChI: InChI=1S/C17H13ClF2N6O2S/c18-7-1-2-11(28-16(19)20)8(3-7)13-10(5-23-26-13)24-15(27)9-4-22-6-12-14(9)25-17(21)29-12/h1-6,15-16,24,27H,(H2,21,25)(H,23,26)
• InChIKey: CXXXFQNVCGSBJM-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 121.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.85
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol?

The IUPAC name of (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol (CID 162609313) is (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol.

What is the SMILES notation for (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol?

The canonical SMILES for (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol is Nc1nc2c(C(O)Nc3cn[nH]c3-c3cc(Cl)ccc3OC(F)F)cncc2s1.

What is the InChIKey of (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol?

The InChIKey is CXXXFQNVCGSBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N6O2S/c18-7-1-2-11(28-16(19)20)8(3-7)13-10(5-23-26-13)24-15(27)9-4-22-6-12-14(9)25-17(21)29-12/h1-6,15-16,24,27H,(H2,21,25)(H,23,26).

What are the key properties of (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol?

(2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol has a molecular weight of 438.85 g/mol, XLogP of 4.02, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-[1,3]thiazolo[5,4-c]pyridin-7-yl)-[[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]amino]methanol is sourced from PubChem (CID 162609313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).