5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)

C27H31F9N4O7 — CID 155834770

About 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)

5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155834770) has the molecular formula C27H31F9N4O7 and a molecular weight of 694.55 g/mol. Its IUPAC name is 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 155834770
• Molecular Formula: C27H31F9N4O7
• Molecular Weight: 694.55 g/mol
• Exact Mass: 694.20
• IUPAC Name: 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
• SMILES: O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(COCC2CN(C3CCC3)Cc3ncn(CC4CC4)c32)c1
• InChI: InChI=1S/C21H28N4O.3C2HF3O2/c1-4-19(5-1)24-11-18(14-26-13-17-3-2-8-22-9-17)21-20(12-24)23-15-25(21)10-16-6-7-16;3*3-2(4,5)1(6)7/h2-3,8-9,15-16,18-19H,1,4-7,10-14H2;3*(H,6,7)
• InChIKey: VTHVJYWXDOTHPK-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 155.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.55
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) (CID 155834770) is 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(COCC2CN(C3CCC3)Cc3ncn(CC4CC4)c32)c1.

What is the InChIKey of 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is VTHVJYWXDOTHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.3C2HF3O2/c1-4-19(5-1)24-11-18(14-26-13-17-3-2-8-22-9-17)21-20(12-24)23-15-25(21)10-16-6-7-16;3*3-2(4,5)1(6)7/h2-3,8-9,15-16,18-19H,1,4-7,10-14H2;3*(H,6,7).

What are the key properties of 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?

5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 694.55 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclobutyl-1-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155834770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).