N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide

C30H35FN6O — CID 126607545

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide
SMILESCC1CC2(C)CC(C)(C)CC(C(=O)Nc3cn4nc(-c5cn(C)nc5-c5ccc(F)cc5)ccc4n3)(C1)C2
InChIInChI=1S/C30H35FN6O/c1-19-12-29(4)16-28(2,3)17-30(13-19,18-29)27(38)33-24-15-37-25(32-24)11-10-23(34-37)22-14-36(5)35-26(22)20-6-8-21(31)9-7-20/h6-11,14-15,19H,12-13,16-18H2,1-5H3,(H,33,38)
InChIKeyRNZFURSHXIBUCV-UHFFFAOYSA-N
MW514.65 g/mol
LogP6.51
Rot. Bonds4

About N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide (PubChem CID 126607545) has the molecular formula C30H35FN6O and a molecular weight of 514.65 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide
PubChem CID126607545
Molecular FormulaC30H35FN6O
Molecular Weight514.65 g/mol
Exact Mass514.29
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide
SMILESCC1CC2(C)CC(C)(C)CC(C(=O)Nc3cn4nc(-c5cn(C)nc5-c5ccc(F)cc5)ccc4n3)(C1)C2
InChIInChI=1S/C30H35FN6O/c1-19-12-29(4)16-28(2,3)17-30(13-19,18-29)27(38)33-24-15-37-25(32-24)11-10-23(34-37)22-14-36(5)35-26(22)20-6-8-21(31)9-7-20/h6-11,14-15,19H,12-13,16-18H2,1-5H3,(H,33,38)
InChIKeyRNZFURSHXIBUCV-UHFFFAOYSA-N
XLogP6.51
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 118550842
1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea
CID 90248400
3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537121
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-2-carboxamide
CID 118537094
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537123
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide
CID 118537093
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methylpyridine-2-carboxamide
CID 118550846
5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537128
6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
CID 118537184
4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537161
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide
CID 118537135
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 118537139

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide (CID 126607545) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide is CC1CC2(C)CC(C)(C)CC(C(=O)Nc3cn4nc(-c5cn(C)nc5-c5ccc(F)cc5)ccc4n3)(C1)C2.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide?
The InChIKey is RNZFURSHXIBUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O/c1-19-12-29(4)16-28(2,3)17-30(13-19,18-29)27(38)33-24-15-37-25(32-24)11-10-23(34-37)22-14-36(5)35-26(22)20-6-8-21(31)9-7-20/h6-11,14-15,19H,12-13,16-18H2,1-5H3,(H,33,38).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide has a molecular weight of 514.65 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3,3,5,7-tetramethylbicyclo[3.3.1]nonane-1-carboxamide is sourced from PubChem (CID 126607545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).