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

C20H23F3N6O3 — CID 118742758

IUPAC2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1cccc(CN2CCc3c(CNC(=O)CC#N)nn(C)c3C2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N6O.C2HF3O2/c1-13-4-3-5-14(21-13)11-24-9-7-15-16(10-20-18(25)6-8-19)22-23(2)17(15)12-24;3-2(4,5)1(6)7/h3-5H,6-7,9-12H2,1-2H3,(H,20,25);(H,6,7)
InChIKeyZVIPXJFXGAMMKN-UHFFFAOYSA-N
MW452.44 g/mol
LogP1.85
Rot. Bonds5

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

2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118742758) has the molecular formula C20H23F3N6O3 and a molecular weight of 452.44 g/mol. Its IUPAC name is 2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118742758
Molecular FormulaC20H23F3N6O3
Molecular Weight452.44 g/mol
Exact Mass452.18
IUPAC Name2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1cccc(CN2CCc3c(CNC(=O)CC#N)nn(C)c3C2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N6O.C2HF3O2/c1-13-4-3-5-14(21-13)11-24-9-7-15-16(10-20-18(25)6-8-19)22-23(2)17(15)12-24;3-2(4,5)1(6)7/h3-5H,6-7,9-12H2,1-2H3,(H,20,25);(H,6,7)
InChIKeyZVIPXJFXGAMMKN-UHFFFAOYSA-N
XLogP1.85
TPSA124.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (CID 118742758) is 2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is Cc1cccc(CN2CCc3c(CNC(=O)CC#N)nn(C)c3C2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZVIPXJFXGAMMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O.C2HF3O2/c1-13-4-3-5-14(21-13)11-24-9-7-15-16(10-20-18(25)6-8-19)22-23(2)17(15)12-24;3-2(4,5)1(6)7/h3-5H,6-7,9-12H2,1-2H3,(H,20,25);(H,6,7).
What are the key properties of 2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 452.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[1-methyl-6-[(6-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).