[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid

C18H21F3N4O4 — CID 118744168

IUPAC[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(C(=O)c2ccncc2)Cc2nn(C)cc21.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N4O2.C2HF3O2/c1-3-22-11-13-8-20(10-15-14(13)9-19(2)18-15)16(21)12-4-6-17-7-5-12;3-2(4,5)1(6)7/h4-7,9,13H,3,8,10-11H2,1-2H3;(H,6,7)
InChIKeyOOFFXSQZEGNZMU-UHFFFAOYSA-N
MW414.38 g/mol
LogP2.22
Rot. Bonds4

About [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid

[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 118744168) has the molecular formula C18H21F3N4O4 and a molecular weight of 414.38 g/mol. Its IUPAC name is [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID118744168
Molecular FormulaC18H21F3N4O4
Molecular Weight414.38 g/mol
Exact Mass414.15
IUPAC Name[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(C(=O)c2ccncc2)Cc2nn(C)cc21.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N4O2.C2HF3O2/c1-3-22-11-13-8-20(10-15-14(13)9-19(2)18-15)16(21)12-4-6-17-7-5-12;3-2(4,5)1(6)7/h4-7,9,13H,3,8,10-11H2,1-2H3;(H,6,7)
InChIKeyOOFFXSQZEGNZMU-UHFFFAOYSA-N
XLogP2.22
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 118739380
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 118739388
1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
CID 118741007
1-[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741020
1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741101
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118741102
[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 118741105
[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
CID 118743951
[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
CID 118744159
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
CID 118744169
[3-(1-Methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 118744891
1-[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118745993

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 118744168) is [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid is CCOCC1CN(C(=O)c2ccncc2)Cc2nn(C)cc21.O=C(O)C(F)(F)F.
What is the InChIKey of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is OOFFXSQZEGNZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.C2HF3O2/c1-3-22-11-13-8-20(10-15-14(13)9-19(2)18-15)16(21)12-4-6-17-7-5-12;3-2(4,5)1(6)7/h4-7,9,13H,3,8,10-11H2,1-2H3;(H,6,7).
What are the key properties of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid?
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 414.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).