N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide

C29H27F3N10O2 — CID 57387892

About N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide

N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 57387892) has the molecular formula C29H27F3N10O2 and a molecular weight of 604.60 g/mol. Its IUPAC name is N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide
• PubChem CID: 57387892
• Molecular Formula: C29H27F3N10O2
• Molecular Weight: 604.60 g/mol
• Exact Mass: 604.23
• IUPAC Name: N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide
• SMILES: O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(C5CCN(C(=O)Nc6cccnc6)CC5)c4)cnn23)c1
• InChI: InChI=1S/C29H27F3N10O2/c30-29(31,32)18-35-27(43)38-22-4-1-3-19(11-22)25-16-34-26-12-20(13-37-42(25)26)21-14-36-41(17-21)24-6-9-40(10-7-24)28(44)39-23-5-2-8-33-15-23/h1-5,8,11-17,24H,6-7,9-10,18H2,(H,39,44)(H2,35,38,43)
• InChIKey: CSSAKBBGFMOUSY-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 134.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.60
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide?

The IUPAC name of N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide (CID 57387892) is N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide?

The canonical SMILES for N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn(C5CCN(C(=O)Nc6cccnc6)CC5)c4)cnn23)c1.

What is the InChIKey of N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide?

The InChIKey is CSSAKBBGFMOUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N10O2/c30-29(31,32)18-35-27(43)38-22-4-1-3-19(11-22)25-16-34-26-12-20(13-37-42(25)26)21-14-36-41(17-21)24-6-9-40(10-7-24)28(44)39-23-5-2-8-33-15-23/h1-5,8,11-17,24H,6-7,9-10,18H2,(H,39,44)(H2,35,38,43).

What are the key properties of N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide?

N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 604.60 g/mol, XLogP of 5.21, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-pyridin-3-yl-4-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 57387892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).