N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

C26H16FN9O — CID 118538846

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1ccnc2nc[nH]c12
InChIInChI=1S/C26H16FN9O/c27-16-6-4-15(5-7-16)22-24(35-12-2-1-3-20(35)33-22)18-8-9-21-31-19(13-36(21)34-18)32-26(37)17-10-11-28-25-23(17)29-14-30-25/h1-14H,(H,32,37)(H,28,29,30)
InChIKeyGZTRSCWHPFORRZ-UHFFFAOYSA-N
MW489.47 g/mol
LogP4.37
Rot. Bonds4

About N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 118538846) has the molecular formula C26H16FN9O and a molecular weight of 489.47 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID118538846
Molecular FormulaC26H16FN9O
Molecular Weight489.47 g/mol
Exact Mass489.15
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1ccnc2nc[nH]c12
InChIInChI=1S/C26H16FN9O/c27-16-6-4-15(5-7-16)22-24(35-12-2-1-3-20(35)33-22)18-8-9-21-31-19(13-36(21)34-18)32-26(37)17-10-11-28-25-23(17)29-14-30-25/h1-14H,(H,32,37)(H,28,29,30)
InChIKeyGZTRSCWHPFORRZ-UHFFFAOYSA-N
XLogP4.37
TPSA118.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 118538846) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1ccnc2nc[nH]c12.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is GZTRSCWHPFORRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16FN9O/c27-16-6-4-15(5-7-16)22-24(35-12-2-1-3-20(35)33-22)18-8-9-21-31-19(13-36(21)34-18)32-26(37)17-10-11-28-25-23(17)29-14-30-25/h1-14H,(H,32,37)(H,28,29,30).
What are the key properties of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 489.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 118538846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).