N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C27H23F3N8O2 — CID 90456892

IUPACN-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOC(c3ncc[nH]3)C2)c2nccn2n1
InChIInChI=1S/C27H23F3N8O2/c1-16-20(12-19(14-34-16)35-26(39)17-3-2-4-18(11-17)27(28,29)30)21-13-22(25-33-7-8-38(25)36-21)37-9-10-40-23(15-37)24-31-5-6-32-24/h2-8,11-14,23H,9-10,15H2,1H3,(H,31,32)(H,35,39)
InChIKeySDAJBZGJYRQNNN-UHFFFAOYSA-N
MW548.53 g/mol
LogP4.67
Rot. Bonds5

About N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90456892) has the molecular formula C27H23F3N8O2 and a molecular weight of 548.53 g/mol. Its IUPAC name is N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90456892
Molecular FormulaC27H23F3N8O2
Molecular Weight548.53 g/mol
Exact Mass548.19
IUPAC NameN-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOC(c3ncc[nH]3)C2)c2nccn2n1
InChIInChI=1S/C27H23F3N8O2/c1-16-20(12-19(14-34-16)35-26(39)17-3-2-4-18(11-17)27(28,29)30)21-13-22(25-33-7-8-38(25)36-21)37-9-10-40-23(15-37)24-31-5-6-32-24/h2-8,11-14,23H,9-10,15H2,1H3,(H,31,32)(H,35,39)
InChIKeySDAJBZGJYRQNNN-UHFFFAOYSA-N
XLogP4.67
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90456892) is N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOC(c3ncc[nH]3)C2)c2nccn2n1.
What is the InChIKey of N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SDAJBZGJYRQNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N8O2/c1-16-20(12-19(14-34-16)35-26(39)17-3-2-4-18(11-17)27(28,29)30)21-13-22(25-33-7-8-38(25)36-21)37-9-10-40-23(15-37)24-31-5-6-32-24/h2-8,11-14,23H,9-10,15H2,1H3,(H,31,32)(H,35,39).
What are the key properties of N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 548.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-[2-(1H-imidazol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90456892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).