1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea

C32H35FN6O3 — CID 68625607

About 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea

1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea (PubChem CID 68625607) has the molecular formula C32H35FN6O3 and a molecular weight of 570.67 g/mol. Its IUPAC name is 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea
• PubChem CID: 68625607
• Molecular Formula: C32H35FN6O3
• Molecular Weight: 570.67 g/mol
• Exact Mass: 570.28
• IUPAC Name: 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC3CCN(C(=O)c4ccccc4F)CC3)nc2)cc1
• InChI: InChI=1S/C32H35FN6O3/c1-21-9-12-23(13-10-21)39-28(19-27(37-39)32(2,3)4)36-31(41)35-22-11-14-29(34-20-22)42-24-15-17-38(18-16-24)30(40)25-7-5-6-8-26(25)33/h5-14,19-20,24H,15-18H2,1-4H3,(H2,35,36,41)
• InChIKey: OUKNKZJJNXWMKR-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.67
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea?

The IUPAC name of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea (CID 68625607) is 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea.

What is the SMILES notation for 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea?

The canonical SMILES for 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC3CCN(C(=O)c4ccccc4F)CC3)nc2)cc1.

What is the InChIKey of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea?

The InChIKey is OUKNKZJJNXWMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN6O3/c1-21-9-12-23(13-10-21)39-28(19-27(37-39)32(2,3)4)36-31(41)35-22-11-14-29(34-20-22)42-24-15-17-38(18-16-24)30(40)25-7-5-6-8-26(25)33/h5-14,19-20,24H,15-18H2,1-4H3,(H2,35,36,41).

What are the key properties of 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea?

1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea has a molecular weight of 570.67 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[6-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-3-pyridinyl]urea is sourced from PubChem (CID 68625607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).