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

C25H18FN9O — CID 118537192

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccc(-n5cccn5)nc4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H18FN9O/c1-33-14-19(24(32-33)16-3-6-18(26)7-4-16)20-8-10-23-29-21(15-35(23)31-20)30-25(36)17-5-9-22(27-13-17)34-12-2-11-28-34/h2-15H,1H3,(H,30,36)
InChIKeyPQZUFAFGEDRZOY-UHFFFAOYSA-N
MW479.48 g/mol
LogP3.77
Rot. Bonds5

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

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 118537192) has the molecular formula C25H18FN9O and a molecular weight of 479.48 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID118537192
Molecular FormulaC25H18FN9O
Molecular Weight479.48 g/mol
Exact Mass479.16
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccc(-n5cccn5)nc4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H18FN9O/c1-33-14-19(24(32-33)16-3-6-18(26)7-4-16)20-8-10-23-29-21(15-35(23)31-20)30-25(36)17-5-9-22(27-13-17)34-12-2-11-28-34/h2-15H,1H3,(H,30,36)
InChIKeyPQZUFAFGEDRZOY-UHFFFAOYSA-N
XLogP3.77
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 53.77
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]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 118537192) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4ccc(-n5cccn5)nc4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is PQZUFAFGEDRZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN9O/c1-33-14-19(24(32-33)16-3-6-18(26)7-4-16)20-8-10-23-29-21(15-35(23)31-20)30-25(36)17-5-9-22(27-13-17)34-12-2-11-28-34/h2-15H,1H3,(H,30,36).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 479.48 g/mol, XLogP of 3.77, 5 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]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 118537192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).