5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)

C27H29F6N5O6 — CID 155852668

About 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)

5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155852668) has the molecular formula C27H29F6N5O6 and a molecular weight of 633.55 g/mol. Its IUPAC name is 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155852668
• Molecular Formula: C27H29F6N5O6
• Molecular Weight: 633.55 g/mol
• Exact Mass: 633.20
• IUPAC Name: 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1ncccc1NC(=O)C1c2c(ncn2C(C)C)CCN1Cc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H27N5O2.2C2HF3O2/c1-16(2)28-15-25-18-11-13-27(14-17-8-5-4-6-9-17)21(20(18)28)22(29)26-19-10-7-12-24-23(19)30-3;2*3-2(4,5)1(6)7/h4-10,12,15-16,21H,11,13-14H2,1-3H3,(H,26,29);2*(H,6,7)
• InChIKey: KCIHEFGNSCFBCZ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 146.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.55
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155852668) is 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is COc1ncccc1NC(=O)C1c2c(ncn2C(C)C)CCN1Cc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is KCIHEFGNSCFBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2.2C2HF3O2/c1-16(2)28-15-25-18-11-13-27(14-17-8-5-4-6-9-17)21(20(18)28)22(29)26-19-10-7-12-24-23(19)30-3;2*3-2(4,5)1(6)7/h4-10,12,15-16,21H,11,13-14H2,1-3H3,(H,26,29);2*(H,6,7).

What are the key properties of 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 633.55 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155852668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).