N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

C22H22F2N8 — CID 164537119

IUPACN-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESFC1(F)CNCC1Nc1cccc(-c2cnc3ccc(-c4cnn5c4CCCC5)nn23)n1
InChIInChI=1S/C22H22F2N8/c23-22(24)13-25-12-19(22)29-20-6-3-4-16(28-20)18-11-26-21-8-7-15(30-32(18)21)14-10-27-31-9-2-1-5-17(14)31/h3-4,6-8,10-11,19,25H,1-2,5,9,12-13H2,(H,28,29)
InChIKeyWAVZNTVMDFOILW-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.01
Rot. Bonds4

About N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (PubChem CID 164537119) has the molecular formula C22H22F2N8 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
PubChem CID164537119
Molecular FormulaC22H22F2N8
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC NameN-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESFC1(F)CNCC1Nc1cccc(-c2cnc3ccc(-c4cnn5c4CCCC5)nn23)n1
InChIInChI=1S/C22H22F2N8/c23-22(24)13-25-12-19(22)29-20-6-3-4-16(28-20)18-11-26-21-8-7-15(30-32(18)21)14-10-27-31-9-2-1-5-17(14)31/h3-4,6-8,10-11,19,25H,1-2,5,9,12-13H2,(H,28,29)
InChIKeyWAVZNTVMDFOILW-UHFFFAOYSA-N
XLogP3.01
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine with MolForge

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Related Compounds

ethane;N-[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
CID 164537166
6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane
CID 164537226
N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane
CID 164537186
N-[6-[6-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
CID 164537012
6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine
CID 164537281
ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 164537015
N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537288
2-[3-[6-[[(3S)-4,4-difluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961620
6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 167122401
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine
CID 169129916
6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyridin-2-amine;difluoromethane
CID 164537196
3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine
CID 167122374

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (CID 164537119) is N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The canonical SMILES for N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is FC1(F)CNCC1Nc1cccc(-c2cnc3ccc(-c4cnn5c4CCCC5)nn23)n1.
What is the InChIKey of N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The InChIKey is WAVZNTVMDFOILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N8/c23-22(24)13-25-12-19(22)29-20-6-3-4-16(28-20)18-11-26-21-8-7-15(30-32(18)21)14-10-27-31-9-2-1-5-17(14)31/h3-4,6-8,10-11,19,25H,1-2,5,9,12-13H2,(H,28,29).
What are the key properties of N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine has a molecular weight of 436.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoropyrrolidin-3-yl)-6-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 164537119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).