N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide

C29H18FN7OS — CID 118538876

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cccc(-c2nccs2)c1
InChIInChI=1S/C29H18FN7OS/c30-21-9-7-18(8-10-21)26-27(36-14-2-1-6-24(36)34-26)22-11-12-25-32-23(17-37(25)35-22)33-28(38)19-4-3-5-20(16-19)29-31-13-15-39-29/h1-17H,(H,33,38)
InChIKeyPYSTXWWXWNVZJN-UHFFFAOYSA-N
MW531.58 g/mol
LogP6.23
Rot. Bonds5

About N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide (PubChem CID 118538876) has the molecular formula C29H18FN7OS and a molecular weight of 531.58 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]-3-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide
PubChem CID118538876
Molecular FormulaC29H18FN7OS
Molecular Weight531.58 g/mol
Exact Mass531.13
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cccc(-c2nccs2)c1
InChIInChI=1S/C29H18FN7OS/c30-21-9-7-18(8-10-21)26-27(36-14-2-1-6-24(36)34-26)22-11-12-25-32-23(17-37(25)35-22)33-28(38)19-4-3-5-20(16-19)29-31-13-15-39-29/h1-17H,(H,33,38)
InChIKeyPYSTXWWXWNVZJN-UHFFFAOYSA-N
XLogP6.23
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.58
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide 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]-3-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide (CID 118538876) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide.
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]-3-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cccc(-c2nccs2)c1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide?
The InChIKey is PYSTXWWXWNVZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18FN7OS/c30-21-9-7-18(8-10-21)26-27(36-14-2-1-6-24(36)34-26)22-11-12-25-32-23(17-37(25)35-22)33-28(38)19-4-3-5-20(16-19)29-31-13-15-39-29/h1-17H,(H,33,38).
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]-3-(1,3-thiazol-2-yl)benzamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-(1,3-thiazol-2-yl)benzamide has a molecular weight of 531.58 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 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]-3-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 118538876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).