1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea

C21H20FN7OS — CID 118381407

About 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea

1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea (PubChem CID 118381407) has the molecular formula C21H20FN7OS and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
• PubChem CID: 118381407
• Molecular Formula: C21H20FN7OS
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.14
• IUPAC Name: 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
• SMILES: C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4scnc4C3)c2cn1)c1ccc(F)cc1
• InChI: InChI=1S/C21H20FN7OS/c1-12(13-2-4-14(22)5-3-13)25-21(30)26-19-8-16-15(9-23-19)20(28-27-16)29-7-6-18-17(10-29)24-11-31-18/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,27,28)(H2,23,25,26,30)/t12-/m1/s1
• InChIKey: ZBXQDPIKTJWEKN-GFCCVEGCSA-N
• XLogP: 4.00
• TPSA: 98.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?

The IUPAC name of 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea (CID 118381407) is 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea.

What is the SMILES notation for 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?

The canonical SMILES for 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4scnc4C3)c2cn1)c1ccc(F)cc1.

What is the InChIKey of 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?

The InChIKey is ZBXQDPIKTJWEKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20FN7OS/c1-12(13-2-4-14(22)5-3-13)25-21(30)26-19-8-16-15(9-23-19)20(28-27-16)29-7-6-18-17(10-29)24-11-31-18/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,27,28)(H2,23,25,26,30)/t12-/m1/s1.

What are the key properties of 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?

1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea has a molecular weight of 437.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 118381407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).