N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C20H29F3N4O4 — CID 155834913

About N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155834913) has the molecular formula C20H29F3N4O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155834913
• Molecular Formula: C20H29F3N4O4
• Molecular Weight: 446.47 g/mol
• Exact Mass: 446.21
• IUPAC Name: N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CN1CCC(C(=O)NCC2OCCc3cn(CC4CC4)nc32)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H28N4O2.C2HF3O2/c1-21-7-4-14(5-8-21)18(23)19-10-16-17-15(6-9-24-16)12-22(20-17)11-13-2-3-13;3-2(4,5)1(6)7/h12-14,16H,2-11H2,1H3,(H,19,23);(H,6,7)
• InChIKey: GSNPSUFDRMTRKB-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 96.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.47
LogP ≤ 5	2.00
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]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155834913) is N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;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]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is CN1CCC(C(=O)NCC2OCCc3cn(CC4CC4)nc32)CC1.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]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is GSNPSUFDRMTRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.C2HF3O2/c1-21-7-4-14(5-8-21)18(23)19-10-16-17-15(6-9-24-16)12-22(20-17)11-13-2-3-13;3-2(4,5)1(6)7/h12-14,16H,2-11H2,1H3,(H,19,23);(H,6,7).

What are the key properties of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 446.47 g/mol, XLogP of 2.00, 5 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]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).