6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine

C20H23FN6O2 — CID 170631062

IUPAC6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine
SMILESCOc1ccc(NC2CNCC2F)nc1-c1cnc2cc(OC)c(C3CC3)nn12
InChIInChI=1S/C20H23FN6O2/c1-28-15-5-6-17(24-13-9-22-8-12(13)21)25-20(15)14-10-23-18-7-16(29-2)19(11-3-4-11)26-27(14)18/h5-7,10-13,22H,3-4,8-9H2,1-2H3,(H,24,25)
InChIKeyDREYGYRSFZQHPO-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.41
Rot. Bonds6

About 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine

6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine (PubChem CID 170631062) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine.

Molecular Properties

Compound Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine
PubChem CID170631062
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine
SMILESCOc1ccc(NC2CNCC2F)nc1-c1cnc2cc(OC)c(C3CC3)nn12
InChIInChI=1S/C20H23FN6O2/c1-28-15-5-6-17(24-13-9-22-8-12(13)21)25-20(15)14-10-23-18-7-16(29-2)19(11-3-4-11)26-27(14)18/h5-7,10-13,22H,3-4,8-9H2,1-2H3,(H,24,25)
InChIKeyDREYGYRSFZQHPO-UHFFFAOYSA-N
XLogP2.41
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 170630990
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 170630919
5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 177159461
2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile
CID 170630970
6-(6-cyclopentyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630869
6-(6-cyclopentyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(3R,4R)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 170630965
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630960
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine
CID 170631276
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine
CID 174291202
5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3R)-piperidin-3-yl]pyridin-2-amine
CID 177159396
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-[(2E,4Z)-hepta-2,4-dien-3-yl]oxypyridin-2-amine
CID 170631257
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 170630933

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine?
The IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine (CID 170631062) is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine.
What is the SMILES notation for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine?
The canonical SMILES for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine is COc1ccc(NC2CNCC2F)nc1-c1cnc2cc(OC)c(C3CC3)nn12.
What is the InChIKey of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine?
The InChIKey is DREYGYRSFZQHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-28-15-5-6-17(24-13-9-22-8-12(13)21)25-20(15)14-10-23-18-7-16(29-2)19(11-3-4-11)26-27(14)18/h5-7,10-13,22H,3-4,8-9H2,1-2H3,(H,24,25).
What are the key properties of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine?
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine has a molecular weight of 398.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine is sourced from PubChem (CID 170631062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).