N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide

C24H20FN7O3 — CID 118537219

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)c(OC)n1
InChIInChI=1S/C24H20FN7O3/c1-31-12-17(22(30-31)14-4-6-15(25)7-5-14)18-9-10-20-26-19(13-32(20)29-18)27-23(33)16-8-11-21(34-2)28-24(16)35-3/h4-13H,1-3H3,(H,27,33)
InChIKeyPFSFTQHWKRPINX-UHFFFAOYSA-N
MW473.47 g/mol
LogP3.60
Rot. Bonds6

About N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 118537219) has the molecular formula C24H20FN7O3 and a molecular weight of 473.47 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide
PubChem CID118537219
Molecular FormulaC24H20FN7O3
Molecular Weight473.47 g/mol
Exact Mass473.16
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)c(OC)n1
InChIInChI=1S/C24H20FN7O3/c1-31-12-17(22(30-31)14-4-6-15(25)7-5-14)18-9-10-20-26-19(13-32(20)29-18)27-23(33)16-8-11-21(34-2)28-24(16)35-3/h4-13H,1-3H3,(H,27,33)
InChIKeyPFSFTQHWKRPINX-UHFFFAOYSA-N
XLogP3.60
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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]-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide (CID 118537219) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)c(OC)n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is PFSFTQHWKRPINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O3/c1-31-12-17(22(30-31)14-4-6-15(25)7-5-14)18-9-10-20-26-19(13-32(20)29-18)27-23(33)16-8-11-21(34-2)28-24(16)35-3/h4-13H,1-3H3,(H,27,33).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 473.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 118537219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).