3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea

C15H18FN5O — CID 129340335

About 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea

3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea (PubChem CID 129340335) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea.

Molecular Properties

• Compound Name: 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
• PubChem CID: 129340335
• Molecular Formula: C15H18FN5O
• Molecular Weight: 303.34 g/mol
• Exact Mass: 303.15
• IUPAC Name: 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
• SMILES: CN(C[C@@H]1CCn2ccnc2C1)C(=O)Nc1ccc(F)cn1
• InChI: InChI=1S/C15H18FN5O/c1-20(15(22)19-13-3-2-12(16)9-18-13)10-11-4-6-21-7-5-17-14(21)8-11/h2-3,5,7,9,11H,4,6,8,10H2,1H3,(H,18,19,22)/t11-/m1/s1
• InChIKey: XDDCLBUQHRFQTM-LLVKDONJSA-N
• XLogP: 2.14
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.34
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?

The IUPAC name of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea (CID 129340335) is 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea.

What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?

The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea is CN(C[C@@H]1CCn2ccnc2C1)C(=O)Nc1ccc(F)cn1.

What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?

The InChIKey is XDDCLBUQHRFQTM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-20(15(22)19-13-3-2-12(16)9-18-13)10-11-4-6-21-7-5-17-14(21)8-11/h2-3,5,7,9,11H,4,6,8,10H2,1H3,(H,18,19,22)/t11-/m1/s1.

What are the key properties of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?

3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea has a molecular weight of 303.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea is sourced from PubChem (CID 129340335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).