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

C20H23F3N4O4 — CID 118743937

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

N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 118743937) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 118743937
• Molecular Formula: C20H23F3N4O4
• Molecular Weight: 440.42 g/mol
• Exact Mass: 440.17
• IUPAC Name: N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(Cc1ccccn1)NCC1OCCc2cn(CC3CC3)nc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H22N4O2.C2HF3O2/c23-17(9-15-3-1-2-7-19-15)20-10-16-18-14(6-8-24-16)12-22(21-18)11-13-4-5-13;3-2(4,5)1(6)7/h1-3,7,12-13,16H,4-6,8-11H2,(H,20,23);(H,6,7)
• InChIKey: ABWFMTOBMAKWRN-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 106.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.42
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid (CID 118743937) is N-[[2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid is O=C(Cc1ccccn1)NCC1OCCc2cn(CC3CC3)nc21.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid?

The InChIKey is ABWFMTOBMAKWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.C2HF3O2/c23-17(9-15-3-1-2-7-19-15)20-10-16-18-14(6-8-24-16)12-22(21-18)11-13-4-5-13;3-2(4,5)1(6)7/h1-3,7,12-13,16H,4-6,8-11H2,(H,20,23);(H,6,7).

What are the key properties of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid?

N-[[2-(cyclopropylmethyl)-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 440.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(cyclopropylmethyl)-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 118743937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).