1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

C16H21F3N6O — CID 129328656

About 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129328656) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
• PubChem CID: 129328656
• Molecular Formula: C16H21F3N6O
• Molecular Weight: 370.38 g/mol
• Exact Mass: 370.17
• IUPAC Name: 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
• SMILES: Cc1[nH]ncc1CNC(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
• InChI: InChI=1S/C16H21F3N6O/c1-10-12(6-21-23-10)5-20-15(26)24(2)7-11-3-4-14-22-13(16(17,18)19)9-25(14)8-11/h6,9,11H,3-5,7-8H2,1-2H3,(H,20,26)(H,21,23)/t11-/m1/s1
• InChIKey: BYUGWURHXBNZDN-LLVKDONJSA-N
• XLogP: 2.34
• TPSA: 78.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.38
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?

The IUPAC name of 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 129328656) is 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

What is the SMILES notation for 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?

The canonical SMILES for 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is Cc1[nH]ncc1CNC(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1.

What is the InChIKey of 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?

The InChIKey is BYUGWURHXBNZDN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-10-12(6-21-23-10)5-20-15(26)24(2)7-11-3-4-14-22-13(16(17,18)19)9-25(14)8-11/h6,9,11H,3-5,7-8H2,1-2H3,(H,20,26)(H,21,23)/t11-/m1/s1.

What are the key properties of 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?

1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 370.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129328656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).