6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

C17H16F2N6O — CID 123772945

IUPAC6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cnc2ccc(N3CCCC(F)C3)nn12
InChIInChI=1S/C17H16F2N6O/c18-11-3-4-14(20-8-11)22-17(26)13-9-21-15-5-6-16(23-25(13)15)24-7-1-2-12(19)10-24/h3-6,8-9,12H,1-2,7,10H2,(H,20,22,26)
InChIKeyURCBMALSPSGGQP-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.45
Rot. Bonds3

About 6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123772945) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is 6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID123772945
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cnc2ccc(N3CCCC(F)C3)nn12
InChIInChI=1S/C17H16F2N6O/c18-11-3-4-14(20-8-11)22-17(26)13-9-21-15-5-6-16(23-25(13)15)24-7-1-2-12(19)10-24/h3-6,8-9,12H,1-2,7,10H2,(H,20,22,26)
InChIKeyURCBMALSPSGGQP-UHFFFAOYSA-N
XLogP2.45
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 123164219
6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708950
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 146415960
6-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 135201828
N-(5-fluoro-3-pyridinyl)-6-(2-methylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 123594424
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166846190
3-fluorobenzenethiol;6-(3-fluoropyrrolidin-1-yl)-N-[1-[(3-hydroxyphenyl)methyl]azetidin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 156808317
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 56940863
N-(2,2-difluoroethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56941155
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
CID 67308144
6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide
CID 146669783
6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide
CID 66940711

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 123772945) is 6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1ccc(F)cn1)c1cnc2ccc(N3CCCC(F)C3)nn12.
What is the InChIKey of 6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is URCBMALSPSGGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c18-11-3-4-14(20-8-11)22-17(26)13-9-21-15-5-6-16(23-25(13)15)24-7-1-2-12(19)10-24/h3-6,8-9,12H,1-2,7,10H2,(H,20,22,26).
What are the key properties of 6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123772945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).