N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid

C19H23F3N4O5 — CID 155828706

IUPACN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCOCCn1cc2c(n1)C(CNC(=O)Cc1ccccn1)OCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O3.C2HF3O2/c1-23-9-7-21-12-13-5-8-24-15(17(13)20-21)11-19-16(22)10-14-4-2-3-6-18-14;3-2(4,5)1(6)7/h2-4,6,12,15H,5,7-11H2,1H3,(H,19,22);(H,6,7)
InChIKeyOWCZSBVDMSMZOM-UHFFFAOYSA-N
MW444.41 g/mol
LogP1.53
Rot. Bonds7

About N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid

N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155828706) has the molecular formula C19H23F3N4O5 and a molecular weight of 444.41 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155828706
Molecular FormulaC19H23F3N4O5
Molecular Weight444.41 g/mol
Exact Mass444.16
IUPAC NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCOCCn1cc2c(n1)C(CNC(=O)Cc1ccccn1)OCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O3.C2HF3O2/c1-23-9-7-21-12-13-5-8-24-15(17(13)20-21)11-19-16(22)10-14-4-2-3-6-18-14;3-2(4,5)1(6)7/h2-4,6,12,15H,5,7-11H2,1H3,(H,19,22);(H,6,7)
InChIKeyOWCZSBVDMSMZOM-UHFFFAOYSA-N
XLogP1.53
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid (CID 155828706) is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid is COCCn1cc2c(n1)C(CNC(=O)Cc1ccccn1)OCC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is OWCZSBVDMSMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.C2HF3O2/c1-23-9-7-21-12-13-5-8-24-15(17(13)20-21)11-19-16(22)10-14-4-2-3-6-18-14;3-2(4,5)1(6)7/h2-4,6,12,15H,5,7-11H2,1H3,(H,19,22);(H,6,7).
What are the key properties of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid?
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 444.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).