2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine

C21H19F2N7 — CID 169033466

IUPAC2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine
SMILESCC1CNCCN1c1ccc2nc(-c3ccc(F)cc3F)n(-c3ccnnc3)c2n1
InChIInChI=1S/C21H19F2N7/c1-13-11-24-8-9-29(13)19-5-4-18-21(28-19)30(15-6-7-25-26-12-15)20(27-18)16-3-2-14(22)10-17(16)23/h2-7,10,12-13,24H,8-9,11H2,1H3
InChIKeyRYGZZECTMOTVTC-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.95
Rot. Bonds3

About 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine

2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine (PubChem CID 169033466) has the molecular formula C21H19F2N7 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine
PubChem CID169033466
Molecular FormulaC21H19F2N7
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine
SMILESCC1CNCCN1c1ccc2nc(-c3ccc(F)cc3F)n(-c3ccnnc3)c2n1
InChIInChI=1S/C21H19F2N7/c1-13-11-24-8-9-29(13)19-5-4-18-21(28-19)30(15-6-7-25-26-12-15)20(27-18)16-3-2-14(22)10-17(16)23/h2-7,10,12-13,24H,8-9,11H2,1H3
InChIKeyRYGZZECTMOTVTC-UHFFFAOYSA-N
XLogP2.95
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-(5-chloro-2-fluorophenyl)-5-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 174115816
3-[2-(difluoromethyl)-4-pyridinyl]-2-(5-fluoro-2-pyridinyl)-5-(2-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
CID 169033264
(1R,4R)-5-[2-(2,4-difluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169033381
2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride
CID 71639508
2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 141105926
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
CID 121448830
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline
CID 150243687
4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 98042461
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine (CID 169033466) is 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine is CC1CNCCN1c1ccc2nc(-c3ccc(F)cc3F)n(-c3ccnnc3)c2n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is RYGZZECTMOTVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7/c1-13-11-24-8-9-29(13)19-5-4-18-21(28-19)30(15-6-7-25-26-12-15)20(27-18)16-3-2-14(22)10-17(16)23/h2-7,10,12-13,24H,8-9,11H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine?
2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 407.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5-(2-methylpiperazin-1-yl)-3-pyridazin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 169033466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).