2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile

C21H22FN7O — CID 170630970

IUPAC2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile
SMILESCOc1cc2ncc(-c3nc(NC4CNCCC4F)ccc3C#N)n2nc1C1CC1
InChIInChI=1S/C21H22FN7O/c1-30-17-8-19-25-11-16(29(19)28-21(17)12-2-3-12)20-13(9-23)4-5-18(27-20)26-15-10-24-7-6-14(15)22/h4-5,8,11-12,14-15,24H,2-3,6-7,10H2,1H3,(H,26,27)
InChIKeyAZJRGNZFCMKGCH-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.66
Rot. Bonds5

About 2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile

2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 170630970) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile
PubChem CID170630970
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile
SMILESCOc1cc2ncc(-c3nc(NC4CNCCC4F)ccc3C#N)n2nc1C1CC1
InChIInChI=1S/C21H22FN7O/c1-30-17-8-19-25-11-16(29(19)28-21(17)12-2-3-12)20-13(9-23)4-5-18(27-20)26-15-10-24-7-6-14(15)22/h4-5,8,11-12,14-15,24H,2-3,6-7,10H2,1H3,(H,26,27)
InChIKeyAZJRGNZFCMKGCH-UHFFFAOYSA-N
XLogP2.66
TPSA100.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 177159461
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine
CID 170631062
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-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine
CID 174291202
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine
CID 170631276
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 170630933
5-fluoro-2-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-6-[6-(2-hydroxypropan-2-yl)-7-methoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 177159618
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-methylpyridin-2-amine
CID 170630919
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-cyclopentyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630869
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630960

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile (CID 170630970) is 2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile is COc1cc2ncc(-c3nc(NC4CNCCC4F)ccc3C#N)n2nc1C1CC1.
What is the InChIKey of 2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is AZJRGNZFCMKGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-30-17-8-19-25-11-16(29(19)28-21(17)12-2-3-12)20-13(9-23)4-5-18(27-20)26-15-10-24-7-6-14(15)22/h4-5,8,11-12,14-15,24H,2-3,6-7,10H2,1H3,(H,26,27).
What are the key properties of 2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile?
2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 407.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-6-[(4-fluoropiperidin-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 170630970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).