1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide

C27H28FN7O2 — CID 58335620

IUPAC1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCOCC5c5cccc(F)c5)nn34)n2)CC1
InChIInChI=1S/C27H28FN7O2/c28-20-4-1-3-19(15-20)23-17-37-14-13-34(23)26-8-7-24-30-16-22(35(24)32-26)21-5-2-6-25(31-21)33-11-9-18(10-12-33)27(29)36/h1-8,15-16,18,23H,9-14,17H2,(H2,29,36)
InChIKeySUDKBKQPSGSUNF-UHFFFAOYSA-N
MW501.57 g/mol
LogP3.21
Rot. Bonds5

About 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide

1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 58335620) has the molecular formula C27H28FN7O2 and a molecular weight of 501.57 g/mol. Its IUPAC name is 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID58335620
Molecular FormulaC27H28FN7O2
Molecular Weight501.57 g/mol
Exact Mass501.23
IUPAC Name1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCOCC5c5cccc(F)c5)nn34)n2)CC1
InChIInChI=1S/C27H28FN7O2/c28-20-4-1-3-19(15-20)23-17-37-14-13-34(23)26-8-7-24-30-16-22(35(24)32-26)21-5-2-6-25(31-21)33-11-9-18(10-12-33)27(29)36/h1-8,15-16,18,23H,9-14,17H2,(H2,29,36)
InChIKeySUDKBKQPSGSUNF-UHFFFAOYSA-N
XLogP3.21
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-fluorophenyl)-4-[3-(6-piperidin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 67029481
3-(3-fluorophenyl)-4-[3-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 58335545
[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl] carbamate
CID 76765339
6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56941872
1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol
CID 58335467
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-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide
CID 44520270
1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 76765226
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
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
(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
(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine
CID 67029066

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide (CID 58335620) is 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCOCC5c5cccc(F)c5)nn34)n2)CC1.
What is the InChIKey of 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is SUDKBKQPSGSUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O2/c28-20-4-1-3-19(15-20)23-17-37-14-13-34(23)26-8-7-24-30-16-22(35(24)32-26)21-5-2-6-25(31-21)33-11-9-18(10-12-33)27(29)36/h1-8,15-16,18,23H,9-14,17H2,(H2,29,36).
What are the key properties of 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide?
1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 501.57 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 58335620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).