2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen

C25H27FN6O2 — CID 144738620

IUPAC2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen
SMILESCNC(=O)c1ccccc1C(=O)NC1C[C@H](c2cccc(F)c2)N(c2ccc3nccn3n2)C1.[H][H].[H][H]
InChIInChI=1S/C25H23FN6O2.2H2/c1-27-24(33)19-7-2-3-8-20(19)25(34)29-18-14-21(16-5-4-6-17(26)13-16)31(15-18)23-10-9-22-28-11-12-32(22)30-23;;/h2-13,18,21H,14-15H2,1H3,(H,27,33)(H,29,34);2*1H/t18?,21-;;/m1../s1
InChIKeyIEHURHFXXWEZGV-KUBYAYDLSA-N
MW462.53 g/mol
LogP3.47
Rot. Bonds5

About 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen

2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen (PubChem CID 144738620) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen
PubChem CID144738620
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen
SMILESCNC(=O)c1ccccc1C(=O)NC1C[C@H](c2cccc(F)c2)N(c2ccc3nccn3n2)C1.[H][H].[H][H]
InChIInChI=1S/C25H23FN6O2.2H2/c1-27-24(33)19-7-2-3-8-20(19)25(34)29-18-14-21(16-5-4-6-17(26)13-16)31(15-18)23-10-9-22-28-11-12-32(22)30-23;;/h2-13,18,21H,14-15H2,1H3,(H,27,33)(H,29,34);2*1H/t18?,21-;;/m1../s1
InChIKeyIEHURHFXXWEZGV-KUBYAYDLSA-N
XLogP3.47
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen with MolForge

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Related Compounds

N-[(3S,5R)-1-(3-ethenylimidazo[1,2-b]pyridazin-6-yl)-5-(3-fluorophenyl)pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen
CID 144738506
3,5-dichloro-N-[(3S,5R)-1-[3-(cyclopenten-1-yl)imidazo[1,2-b]pyridazin-6-yl]-5-(3-fluorophenyl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738325
6-[(2R,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine;formamide;2-methyl-6-(2-methylprop-2-enoxy)phenol
CID 144738070
(2E)-N-[(5R)-5-(3-fluorophenyl)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-[1-(methylamino)ethylidene]-N'-(2,2,2-trifluoroethyl)propanediamide
CID 144738752
6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 87111602
fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738246
6-[(4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 66694368
3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738035
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129480751
(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 129480601
5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 128975461
5-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56944950

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen?
The IUPAC name of 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen (CID 144738620) is 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen.
What is the SMILES notation for 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen?
The canonical SMILES for 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen is CNC(=O)c1ccccc1C(=O)NC1C[C@H](c2cccc(F)c2)N(c2ccc3nccn3n2)C1.[H][H].[H][H].
What is the InChIKey of 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen?
The InChIKey is IEHURHFXXWEZGV-KUBYAYDLSA-N. The full InChI is InChI=1S/C25H23FN6O2.2H2/c1-27-24(33)19-7-2-3-8-20(19)25(34)29-18-14-21(16-5-4-6-17(26)13-16)31(15-18)23-10-9-22-28-11-12-32(22)30-23;;/h2-13,18,21H,14-15H2,1H3,(H,27,33)(H,29,34);2*1H/t18?,21-;;/m1../s1.
What are the key properties of 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen?
2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen has a molecular weight of 462.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-1-N-methylbenzene-1,2-dicarboxamide;molecular hydrogen is sourced from PubChem (CID 144738620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).