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

C18H22F3N3O6 — CID 155845236

IUPACN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCn1cc2c(n1)C(CNC(=O)c1ccc(C)o1)OCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N3O4.C2HF3O2/c1-11-3-4-13(23-11)16(20)17-9-14-15-12(5-7-22-14)10-19(18-15)6-8-21-2;3-2(4,5)1(6)7/h3-4,10,14H,5-9H2,1-2H3,(H,17,20);(H,6,7)
InChIKeyFKGKKIUBNJFDHY-UHFFFAOYSA-N
MW433.38 g/mol
LogP2.11
Rot. Bonds6

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

N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155845236) has the molecular formula C18H22F3N3O6 and a molecular weight of 433.38 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155845236
Molecular FormulaC18H22F3N3O6
Molecular Weight433.38 g/mol
Exact Mass433.15
IUPAC NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCn1cc2c(n1)C(CNC(=O)c1ccc(C)o1)OCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N3O4.C2HF3O2/c1-11-3-4-13(23-11)16(20)17-9-14-15-12(5-7-22-14)10-19(18-15)6-8-21-2;3-2(4,5)1(6)7/h3-4,10,14H,5-9H2,1-2H3,(H,17,20);(H,6,7)
InChIKeyFKGKKIUBNJFDHY-UHFFFAOYSA-N
XLogP2.11
TPSA115.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 52.11
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]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-5-methylfuran-2-carboxamide;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]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155845236) is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide;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]-5-methylfuran-2-carboxamide;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]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid is COCCn1cc2c(n1)C(CNC(=O)c1ccc(C)o1)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]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FKGKKIUBNJFDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4.C2HF3O2/c1-11-3-4-13(23-11)16(20)17-9-14-15-12(5-7-22-14)10-19(18-15)6-8-21-2;3-2(4,5)1(6)7/h3-4,10,14H,5-9H2,1-2H3,(H,17,20);(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]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 433.38 g/mol, XLogP of 2.11, 6 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]-5-methylfuran-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155845236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).