N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)

C23H29F6N5O6 — CID 118745834

About N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745834) has the molecular formula C23H29F6N5O6 and a molecular weight of 585.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118745834
• Molecular Formula: C23H29F6N5O6
• Molecular Weight: 585.50 g/mol
• Exact Mass: 585.20
• IUPAC Name: N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cccc(CN2CCc3c(COCC(=O)N(C)C)nn(C)c3C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H27N5O2.2C2HF3O2/c1-14-6-5-7-15(20-14)10-24-9-8-16-17(21-23(4)18(16)11-24)12-26-13-19(25)22(2)3;2*3-2(4,5)1(6)7/h5-7H,8-13H2,1-4H3;2*(H,6,7)
• InChIKey: BHMQVPWZOVYXJJ-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 138.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.50
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 118745834) is N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) is Cc1cccc(CN2CCc3c(COCC(=O)N(C)C)nn(C)c3C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is BHMQVPWZOVYXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.2C2HF3O2/c1-14-6-5-7-15(20-14)10-24-9-8-16-17(21-23(4)18(16)11-24)12-26-13-19(25)22(2)3;2*3-2(4,5)1(6)7/h5-7H,8-13H2,1-4H3;2*(H,6,7).

What are the key properties of N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?

N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 585.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).