N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide

C25H30N6O — CID 144654490

IUPACN-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cn2nc(-c3cn(C)nc3-c3ccc(C)cc3)ccc2n1
InChIInChI=1S/C25H30N6O/c1-5-7-19(8-6-2)25(32)27-22-16-31-23(26-22)14-13-21(28-31)20-15-30(4)29-24(20)18-11-9-17(3)10-12-18/h9-16,19H,5-8H2,1-4H3,(H,27,32)
InChIKeyBYUGPPJPNFPCMH-UHFFFAOYSA-N
MW430.56 g/mol
LogP5.26
Rot. Bonds8

About N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide

N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide (PubChem CID 144654490) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide
PubChem CID144654490
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cn2nc(-c3cn(C)nc3-c3ccc(C)cc3)ccc2n1
InChIInChI=1S/C25H30N6O/c1-5-7-19(8-6-2)25(32)27-22-16-31-23(26-22)14-13-21(28-31)20-15-30(4)29-24(20)18-11-9-17(3)10-12-18/h9-16,19H,5-8H2,1-4H3,(H,27,32)
InChIKeyBYUGPPJPNFPCMH-UHFFFAOYSA-N
XLogP5.26
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 55.26
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
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methylpyridine-2-carboxamide
CID 118550846
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
4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537161
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide
CID 118537093
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
6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
CID 118537184
5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537128

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide?
The IUPAC name of N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide (CID 144654490) is N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide.
What is the SMILES notation for N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide?
The canonical SMILES for N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cn2nc(-c3cn(C)nc3-c3ccc(C)cc3)ccc2n1.
What is the InChIKey of N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide?
The InChIKey is BYUGPPJPNFPCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-5-7-19(8-6-2)25(32)27-22-16-31-23(26-22)14-13-21(28-31)20-15-30(4)29-24(20)18-11-9-17(3)10-12-18/h9-16,19H,5-8H2,1-4H3,(H,27,32).
What are the key properties of N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide?
N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide has a molecular weight of 430.56 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide is sourced from PubChem (CID 144654490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).