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

C23H18FN7O2 — CID 118537152

IUPACN-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1cn2nc(-c3cn(C4CC4)nc3-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C23H18FN7O2/c1-13-18(12-33-29-13)23(32)26-20-11-31-21(25-20)9-8-19(27-31)17-10-30(16-6-7-16)28-22(17)14-2-4-15(24)5-3-14/h2-5,8-12,16H,6-7H2,1H3,(H,26,32)
InChIKeyOKWLOBURRNRLIQ-UHFFFAOYSA-N
MW443.44 g/mol
LogP4.28
Rot. Bonds5

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

N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 118537152) has the molecular formula C23H18FN7O2 and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID118537152
Molecular FormulaC23H18FN7O2
Molecular Weight443.44 g/mol
Exact Mass443.15
IUPAC NameN-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1cn2nc(-c3cn(C4CC4)nc3-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C23H18FN7O2/c1-13-18(12-33-29-13)23(32)26-20-11-31-21(25-20)9-8-19(27-31)17-10-30(16-6-7-16)28-22(17)14-2-4-15(24)5-3-14/h2-5,8-12,16H,6-7H2,1H3,(H,26,32)
InChIKeyOKWLOBURRNRLIQ-UHFFFAOYSA-N
XLogP4.28
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388111
3-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 154642761
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684453
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684455
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 76684550
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 76684551
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684742
N-(6-(2-cyclopropyl-4-(4-fluorophenyl)-1-(1-(isoxazol-3-ylmethyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 90241166
2-amino-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241323
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241336
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241346
2,6-difluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazole-3-carbonyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 90246107

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]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 118537152) is N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-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]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1cn2nc(-c3cn(C4CC4)nc3-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OKWLOBURRNRLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O2/c1-13-18(12-33-29-13)23(32)26-20-11-31-21(25-20)9-8-19(27-31)17-10-30(16-6-7-16)28-22(17)14-2-4-15(24)5-3-14/h2-5,8-12,16H,6-7H2,1H3,(H,26,32).
What are the key properties of N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118537152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).