6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane

C18H22F2N6 — CID 164537226

IUPAC6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane
SMILESCC.FC(F)c1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1
InChIInChI=1S/C16H16F2N6.C2H6/c17-16(18)12-4-5-15-20-9-13(24(15)23-12)11-2-1-3-14(22-11)21-10-6-7-19-8-10;1-2/h1-5,9-10,16,19H,6-8H2,(H,21,22);1-2H3
InChIKeyJCNYGKFXRKRPCO-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.53
Rot. Bonds4

About 6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane

6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane (PubChem CID 164537226) has the molecular formula C18H22F2N6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane.

Molecular Properties

Compound Name6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane
PubChem CID164537226
Molecular FormulaC18H22F2N6
Molecular Weight360.41 g/mol
Exact Mass360.19
IUPAC Name6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane
SMILESCC.FC(F)c1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1
InChIInChI=1S/C16H16F2N6.C2H6/c17-16(18)12-4-5-15-20-9-13(24(15)23-12)11-2-1-3-14(22-11)21-10-6-7-19-8-10;1-2/h1-5,9-10,16,19H,6-8H2,(H,21,22);1-2H3
InChIKeyJCNYGKFXRKRPCO-UHFFFAOYSA-N
XLogP3.53
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 164537015
N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane
CID 164537186
N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537288
N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 164537108
6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 164560910
6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyridin-2-amine;difluoromethane
CID 164537196
[6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol
CID 171431688
6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 167122401
N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537113
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
N-[(3R)-pyrrolidin-3-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
CID 164560903
6-[6-(3,3-difluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 164561142

Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane?
The IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane (CID 164537226) is 6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane.
What is the SMILES notation for 6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane?
The canonical SMILES for 6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane is CC.FC(F)c1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1.
What is the InChIKey of 6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane?
The InChIKey is JCNYGKFXRKRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6.C2H6/c17-16(18)12-4-5-15-20-9-13(24(15)23-12)11-2-1-3-14(22-11)21-10-6-7-19-8-10;1-2/h1-5,9-10,16,19H,6-8H2,(H,21,22);1-2H3.
What are the key properties of 6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane?
6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane has a molecular weight of 360.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane is sourced from PubChem (CID 164537226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).