N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C27H19FN8OS — CID 90241397

IUPACN-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3cn(C4CC4)nc3-c3ccc(F)cc3)ccc2n1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C27H19FN8OS/c28-18-3-1-16(2-4-18)25-20(13-35(34-25)19-5-6-19)21-7-8-24-31-23(14-36(24)33-21)32-26(37)22-15-38-27(30-22)17-9-11-29-12-10-17/h1-4,7-15,19H,5-6H2,(H,32,37)
InChIKeyIIUIAZDITQPLED-UHFFFAOYSA-N
MW522.57 g/mol
LogP5.50
Rot. Bonds6

About N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 90241397) has the molecular formula C27H19FN8OS and a molecular weight of 522.57 g/mol. Its IUPAC name is N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID90241397
Molecular FormulaC27H19FN8OS
Molecular Weight522.57 g/mol
Exact Mass522.14
IUPAC NameN-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3cn(C4CC4)nc3-c3ccc(F)cc3)ccc2n1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C27H19FN8OS/c28-18-3-1-16(2-4-18)25-20(13-35(34-25)19-5-6-19)21-7-8-24-31-23(14-36(24)33-21)32-26(37)22-15-38-27(30-22)17-9-11-29-12-10-17/h1-4,7-15,19H,5-6H2,(H,32,37)
InChIKeyIIUIAZDITQPLED-UHFFFAOYSA-N
XLogP5.50
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 90241397) is N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is O=C(Nc1cn2nc(-c3cn(C4CC4)nc3-c3ccc(F)cc3)ccc2n1)c1csc(-c2ccncc2)n1.
What is the InChIKey of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is IIUIAZDITQPLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN8OS/c28-18-3-1-16(2-4-18)25-20(13-35(34-25)19-5-6-19)21-7-8-24-31-23(14-36(24)33-21)32-26(37)22-15-38-27(30-22)17-9-11-29-12-10-17/h1-4,7-15,19H,5-6H2,(H,32,37).
What are the key properties of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90241397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).