1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol

C27H29FN6O — CID 58335467

IUPAC1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cccc(-c3cnc4ccc(N5CCCCC5c5cccc(F)c5)nn34)n2)CC1
InChIInChI=1S/C27H29FN6O/c28-20-6-3-5-19(17-20)23-8-1-2-14-33(23)27-11-10-25-29-18-24(34(25)31-27)22-7-4-9-26(30-22)32-15-12-21(35)13-16-32/h3-7,9-11,17-18,21,23,35H,1-2,8,12-16H2
InChIKeyDKEXEBCNNVDGRD-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.62
Rot. Bonds4

About 1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol

1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol (PubChem CID 58335467) has the molecular formula C27H29FN6O and a molecular weight of 472.57 g/mol. Its IUPAC name is 1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol
PubChem CID58335467
Molecular FormulaC27H29FN6O
Molecular Weight472.57 g/mol
Exact Mass472.24
IUPAC Name1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cccc(-c3cnc4ccc(N5CCCCC5c5cccc(F)c5)nn34)n2)CC1
InChIInChI=1S/C27H29FN6O/c28-20-6-3-5-19(17-20)23-8-1-2-14-33(23)27-11-10-25-29-18-24(34(25)31-27)22-7-4-9-26(30-22)32-15-12-21(35)13-16-32/h3-7,9-11,17-18,21,23,35H,1-2,8,12-16H2
InChIKeyDKEXEBCNNVDGRD-UHFFFAOYSA-N
XLogP4.62
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane
CID 58335803
(2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
CID 67029040
[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl] carbamate
CID 76765339
3-(3-fluorophenyl)-4-[3-(6-piperidin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 67029481
[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]carbamic acid
CID 166784328
(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine
CID 67029066
1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine
CID 172684777
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 58335886
8-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 58335744

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol (CID 58335467) is 1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol is OC1CCN(c2cccc(-c3cnc4ccc(N5CCCCC5c5cccc(F)c5)nn34)n2)CC1.
What is the InChIKey of 1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol?
The InChIKey is DKEXEBCNNVDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O/c28-20-6-3-5-19(17-20)23-8-1-2-14-33(23)27-11-10-25-29-18-24(34(25)31-27)22-7-4-9-26(30-22)32-15-12-21(35)13-16-32/h3-7,9-11,17-18,21,23,35H,1-2,8,12-16H2.
What are the key properties of 1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol?
1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol has a molecular weight of 472.57 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 58335467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).