N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid)

C26H34F6N6O5S — CID 155825484

About N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid)

N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155825484) has the molecular formula C26H34F6N6O5S and a molecular weight of 656.65 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155825484
• Molecular Formula: C26H34F6N6O5S
• Molecular Weight: 656.65 g/mol
• Exact Mass: 656.22
• IUPAC Name: N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCCN(C)c1nc(C2CCN(Cc3nccs3)CC2)cc2c1ncn2C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H32N6OS.2C2HF3O2/c1-16(2)28-15-24-21-19(28)13-18(25-22(21)26(3)10-11-29-4)17-5-8-27(9-6-17)14-20-23-7-12-30-20;2*3-2(4,5)1(6)7/h7,12-13,15-17H,5-6,8-11,14H2,1-4H3;2*(H,6,7)
• InChIKey: HVLISJZJUYIQQS-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 133.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.65
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 155825484) is N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid) is COCCN(C)c1nc(C2CCN(Cc3nccs3)CC2)cc2c1ncn2C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is HVLISJZJUYIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6OS.2C2HF3O2/c1-16(2)28-15-24-21-19(28)13-18(25-22(21)26(3)10-11-29-4)17-5-8-27(9-6-17)14-20-23-7-12-30-20;2*3-2(4,5)1(6)7/h7,12-13,15-17H,5-6,8-11,14H2,1-4H3;2*(H,6,7).

What are the key properties of N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid)?

N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 656.65 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155825484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).