N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide

C21H24F3N7O2S — CID 54756160

About N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide

N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide (PubChem CID 54756160) has the molecular formula C21H24F3N7O2S and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide
• PubChem CID: 54756160
• Molecular Formula: C21H24F3N7O2S
• Molecular Weight: 495.53 g/mol
• Exact Mass: 495.17
• IUPAC Name: N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide
• SMILES: O=C(CNc1n[nH]c2ccc(C(F)(F)F)nc12)NC1CN(C2CCC(O)(c3cncs3)CC2)C1
• InChI: InChI=1S/C21H24F3N7O2S/c22-21(23,24)15-2-1-14-18(28-15)19(30-29-14)26-8-17(32)27-12-9-31(10-12)13-3-5-20(33,6-4-13)16-7-25-11-34-16/h1-2,7,11-13,33H,3-6,8-10H2,(H,27,32)(H2,26,29,30)
• InChIKey: IHGOVRIYMLPHIP-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 119.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.53
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide?

The IUPAC name of N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide (CID 54756160) is N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide.

What is the SMILES notation for N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide?

The canonical SMILES for N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide is O=C(CNc1n[nH]c2ccc(C(F)(F)F)nc12)NC1CN(C2CCC(O)(c3cncs3)CC2)C1.

What is the InChIKey of N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide?

The InChIKey is IHGOVRIYMLPHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O2S/c22-21(23,24)15-2-1-14-18(28-15)19(30-29-14)26-8-17(32)27-12-9-31(10-12)13-3-5-20(33,6-4-13)16-7-25-11-34-16/h1-2,7,11-13,33H,3-6,8-10H2,(H,27,32)(H2,26,29,30).

What are the key properties of N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide?

N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide has a molecular weight of 495.53 g/mol, XLogP of 2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]acetamide is sourced from PubChem (CID 54756160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).