N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide

C32H26FN7O — CID 144654390

IUPACN-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cc1cccc(-c2cccnc2)c1)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCCC4)ccc2n1
InChIInChI=1S/C32H26FN7O/c33-25-11-9-22(10-12-25)31-32(39-16-2-1-8-28(39)37-31)26-13-14-29-35-27(20-40(29)38-26)36-30(41)18-21-5-3-6-23(17-21)24-7-4-15-34-19-24/h3-7,9-15,17,19-20H,1-2,8,16,18H2,(H,36,41)
InChIKeyOZCQKGOETFPVQB-UHFFFAOYSA-N
MW543.61 g/mol
LogP5.98
Rot. Bonds6

About N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide

N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide (PubChem CID 144654390) has the molecular formula C32H26FN7O and a molecular weight of 543.61 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide
PubChem CID144654390
Molecular FormulaC32H26FN7O
Molecular Weight543.61 g/mol
Exact Mass543.22
IUPAC NameN-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cc1cccc(-c2cccnc2)c1)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCCC4)ccc2n1
InChIInChI=1S/C32H26FN7O/c33-25-11-9-22(10-12-25)31-32(39-16-2-1-8-28(39)37-31)26-13-14-29-35-27(20-40(29)38-26)36-30(41)18-21-5-3-6-23(17-21)24-7-4-15-34-19-24/h3-7,9-15,17,19-20H,1-2,8,16,18H2,(H,36,41)
InChIKeyOZCQKGOETFPVQB-UHFFFAOYSA-N
XLogP5.98
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.61
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide (CID 144654390) is N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide is O=C(Cc1cccc(-c2cccnc2)c1)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCCC4)ccc2n1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide?
The InChIKey is OZCQKGOETFPVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN7O/c33-25-11-9-22(10-12-25)31-32(39-16-2-1-8-28(39)37-31)26-13-14-29-35-27(20-40(29)38-26)36-30(41)18-21-5-3-6-23(17-21)24-7-4-15-34-19-24/h3-7,9-15,17,19-20H,1-2,8,16,18H2,(H,36,41).
What are the key properties of N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide?
N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide has a molecular weight of 543.61 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 144654390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).