6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide

C22H18ClFN6O3 — CID 87565182

IUPAC6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CCC(=O)Nc2cc(Cl)nn3c(C(=O)Nc4ccncc4F)cnc23)cc1
InChIInChI=1S/C22H18ClFN6O3/c1-33-14-5-2-13(3-6-14)4-7-20(31)27-17-10-19(23)29-30-18(12-26-21(17)30)22(32)28-16-8-9-25-11-15(16)24/h2-3,5-6,8-12H,4,7H2,1H3,(H,27,31)(H,25,28,32)
InChIKeyYDVXQMMFPDYPAN-UHFFFAOYSA-N
MW468.88 g/mol
LogP3.75
Rot. Bonds7

About 6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide

6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 87565182) has the molecular formula C22H18ClFN6O3 and a molecular weight of 468.88 g/mol. Its IUPAC name is 6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID87565182
Molecular FormulaC22H18ClFN6O3
Molecular Weight468.88 g/mol
Exact Mass468.11
IUPAC Name6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CCC(=O)Nc2cc(Cl)nn3c(C(=O)Nc4ccncc4F)cnc23)cc1
InChIInChI=1S/C22H18ClFN6O3/c1-33-14-5-2-13(3-6-14)4-7-20(31)27-17-10-19(23)29-30-18(12-26-21(17)30)22(32)28-16-8-9-25-11-15(16)24/h2-3,5-6,8-12H,4,7H2,1H3,(H,27,31)(H,25,28,32)
InChIKeyYDVXQMMFPDYPAN-UHFFFAOYSA-N
XLogP3.75
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.88
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 87565182) is 6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(CCC(=O)Nc2cc(Cl)nn3c(C(=O)Nc4ccncc4F)cnc23)cc1.
What is the InChIKey of 6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is YDVXQMMFPDYPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN6O3/c1-33-14-5-2-13(3-6-14)4-7-20(31)27-17-10-19(23)29-30-18(12-26-21(17)30)22(32)28-16-8-9-25-11-15(16)24/h2-3,5-6,8-12H,4,7H2,1H3,(H,27,31)(H,25,28,32).
What are the key properties of 6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 468.88 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 87565182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).