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

C21H26F3N3O6 — CID 171673010

IUPAC2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1occc1C(=O)NCC1OCCc2cn(CC3CCOCC3)nc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N3O4.C2HF3O2/c1-13-16(5-9-25-13)19(23)20-10-17-18-15(4-8-26-17)12-22(21-18)11-14-2-6-24-7-3-14;3-2(4,5)1(6)7/h5,9,12,14,17H,2-4,6-8,10-11H2,1H3,(H,20,23);(H,6,7)
InChIKeyJLTRIWNKOOBYLN-UHFFFAOYSA-N
MW473.45 g/mol
LogP2.89
Rot. Bonds5

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

2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171673010) has the molecular formula C21H26F3N3O6 and a molecular weight of 473.45 g/mol. Its IUPAC name is 2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171673010
Molecular FormulaC21H26F3N3O6
Molecular Weight473.45 g/mol
Exact Mass473.18
IUPAC Name2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1occc1C(=O)NCC1OCCc2cn(CC3CCOCC3)nc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N3O4.C2HF3O2/c1-13-16(5-9-25-13)19(23)20-10-17-18-15(4-8-26-17)12-22(21-18)11-14-2-6-24-7-3-14;3-2(4,5)1(6)7/h5,9,12,14,17H,2-4,6-8,10-11H2,1H3,(H,20,23);(H,6,7)
InChIKeyJLTRIWNKOOBYLN-UHFFFAOYSA-N
XLogP2.89
TPSA115.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-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 2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (CID 171673010) is 2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1occc1C(=O)NCC1OCCc2cn(CC3CCOCC3)nc21.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JLTRIWNKOOBYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4.C2HF3O2/c1-13-16(5-9-25-13)19(23)20-10-17-18-15(4-8-26-17)12-22(21-18)11-14-2-6-24-7-3-14;3-2(4,5)1(6)7/h5,9,12,14,17H,2-4,6-8,10-11H2,1H3,(H,20,23);(H,6,7).
What are the key properties of 2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 473.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171673010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).