6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine

C26H28FN7 — CID 58335544

IUPAC6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine
SMILESCN1CCN(c2cc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)ccn2)CC1
InChIInChI=1S/C26H28FN7/c1-31-12-14-32(15-13-31)26-17-20(9-10-28-26)23-18-29-24-7-8-25(30-34(23)24)33-11-3-6-22(33)19-4-2-5-21(27)16-19/h2,4-5,7-10,16-18,22H,3,6,11-15H2,1H3
InChIKeyNXDMEPYDGNQUCM-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.02
Rot. Bonds4

About 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 58335544) has the molecular formula C26H28FN7 and a molecular weight of 457.56 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine
PubChem CID58335544
Molecular FormulaC26H28FN7
Molecular Weight457.56 g/mol
Exact Mass457.24
IUPAC Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine
SMILESCN1CCN(c2cc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)ccn2)CC1
InChIInChI=1S/C26H28FN7/c1-31-12-14-32(15-13-31)26-17-20(9-10-28-26)23-18-29-24-7-8-25(30-34(23)24)33-11-3-6-22(33)19-4-2-5-21(27)16-19/h2,4-5,7-10,16-18,22H,3,6,11-15H2,1H3
InChIKeyNXDMEPYDGNQUCM-UHFFFAOYSA-N
XLogP4.02
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 58335786
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine
CID 161331913
3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline
CID 58335793
[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid
CID 118158296
1-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58335841
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 58335889
1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 76765226
N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine
CID 76765252
2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol
CID 58335928
1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol
CID 58335467
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine (CID 58335544) is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine is CN1CCN(c2cc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)ccn2)CC1.
What is the InChIKey of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine?
The InChIKey is NXDMEPYDGNQUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7/c1-31-12-14-32(15-13-31)26-17-20(9-10-28-26)23-18-29-24-7-8-25(30-34(23)24)33-11-3-6-22(33)19-4-2-5-21(27)16-19/h2,4-5,7-10,16-18,22H,3,6,11-15H2,1H3.
What are the key properties of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine?
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine has a molecular weight of 457.56 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 58335544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).