5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide

C25H22F2N6O — CID 159386013

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 159386013) has the molecular formula C25H22F2N6O and a molecular weight of 460.49 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
• PubChem CID: 159386013
• Molecular Formula: C25H22F2N6O
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.18
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](F)CC4)n2)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C25H22F2N6O/c1-14-9-18(26)17(10-21(14)32-12-20(29-13-32)15-5-6-15)25(34)31-23-4-2-3-19(30-23)24-28-11-16-7-8-22(27)33(16)24/h2-4,9-13,15,22H,5-8H2,1H3,(H,30,31,34)/t22-/m1/s1
• InChIKey: QFVVWYTUVUGOBQ-JOCHJYFZSA-N
• XLogP: 5.12
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide (CID 159386013) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide.

What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](F)CC4)n2)cc1-n1cnc(C2CC2)c1.

What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

The InChIKey is QFVVWYTUVUGOBQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H22F2N6O/c1-14-9-18(26)17(10-21(14)32-12-20(29-13-32)15-5-6-15)25(34)31-23-4-2-3-19(30-23)24-28-11-16-7-8-22(27)33(16)24/h2-4,9-13,15,22H,5-8H2,1H3,(H,30,31,34)/t22-/m1/s1.

What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 460.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 159386013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).