N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid)

C21H25F6N5O6 — CID 155830243

IUPACN,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)CN1Cc2ccnn2C(COCc2cccnc2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O2.2C2HF3O2/c1-20(2)17(23)11-21-9-15-5-7-19-22(15)16(10-21)13-24-12-14-4-3-6-18-8-14;2*3-2(4,5)1(6)7/h3-8,16H,9-13H2,1-2H3;2*(H,6,7)
InChIKeyDYWYUSPNTPOECH-UHFFFAOYSA-N
MW557.45 g/mol
LogP2.21
Rot. Bonds6

About N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155830243) has the molecular formula C21H25F6N5O6 and a molecular weight of 557.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID155830243
Molecular FormulaC21H25F6N5O6
Molecular Weight557.45 g/mol
Exact Mass557.17
IUPAC NameN,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)CN1Cc2ccnn2C(COCc2cccnc2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O2.2C2HF3O2/c1-20(2)17(23)11-21-9-15-5-7-19-22(15)16(10-21)13-24-12-14-4-3-6-18-8-14;2*3-2(4,5)1(6)7/h3-8,16H,9-13H2,1-2H3;2*(H,6,7)
InChIKeyDYWYUSPNTPOECH-UHFFFAOYSA-N
XLogP2.21
TPSA138.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

3-[({1-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}oxy)methyl]pyridine
CID 70711912
3-(methoxymethyl)-1-propan-2-yl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97519988
2-(dimethylamino)-1-[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 118746147
ethyl 1-(2-pyridinylmethyl)-5-(3,3,3-trifluoro-1-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 45162865
2-ethoxy-1-[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118743587
2,2,2-trifluoroacetic acid;N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide
CID 118743627
[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
7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid
CID 118744324
7-(cyclopropylmethoxymethyl)-1-ethyl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118745707
1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118745774
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
1-[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 118745992

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 155830243) is N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)CN1Cc2ccnn2C(COCc2cccnc2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is DYWYUSPNTPOECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.2C2HF3O2/c1-20(2)17(23)11-21-9-15-5-7-19-22(15)16(10-21)13-24-12-14-4-3-6-18-8-14;2*3-2(4,5)1(6)7/h3-8,16H,9-13H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 557.45 g/mol, XLogP of 2.21, 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-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155830243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).