tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate

C19H20F3N7O3 — CID 59251943

About tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 59251943) has the molecular formula C19H20F3N7O3 and a molecular weight of 451.41 g/mol. Its IUPAC name is tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate
• PubChem CID: 59251943
• Molecular Formula: C19H20F3N7O3
• Molecular Weight: 451.41 g/mol
• Exact Mass: 451.16
• IUPAC Name: tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCC(=O)Nc1cn2nc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
• InChI: InChI=1S/C19H20F3N7O3/c1-18(2,3)32-17(31)25-8-15(30)27-13-9-29-14(26-13)5-4-12(28-29)10-6-11(19(20,21)22)16(23)24-7-10/h4-7,9H,8H2,1-3H3,(H2,23,24)(H,25,31)(H,27,30)
• InChIKey: GFDXRJJIYIRIAN-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 136.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.41
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate (CID 59251943) is tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1cn2nc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1.

What is the InChIKey of tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate?

The InChIKey is GFDXRJJIYIRIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O3/c1-18(2,3)32-17(31)25-8-15(30)27-13-9-29-14(26-13)5-4-12(28-29)10-6-11(19(20,21)22)16(23)24-7-10/h4-7,9H,8H2,1-3H3,(H2,23,24)(H,25,31)(H,27,30).

What are the key properties of tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate?

tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 451.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 59251943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).