N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine

C17H21N7 — CID 164537108

IUPACN,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN(C)c1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1
InChIInChI=1S/C17H21N7/c1-23(2)17-7-6-16-19-11-14(24(16)22-17)13-4-3-5-15(21-13)20-12-8-9-18-10-12/h3-7,11-12,18H,8-10H2,1-2H3,(H,20,21)
InChIKeyDEIHJHFEYFQJNV-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.63
Rot. Bonds4

About N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine

N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 164537108) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID164537108
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN(C)c1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1
InChIInChI=1S/C17H21N7/c1-23(2)17-7-6-16-19-11-14(24(16)22-17)13-4-3-5-15(21-13)20-12-8-9-18-10-12/h3-7,11-12,18H,8-10H2,1-2H3,(H,20,21)
InChIKeyDEIHJHFEYFQJNV-UHFFFAOYSA-N
XLogP1.63
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine
CID 167122374
6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine;ethane
CID 164537226
N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537288
6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyridin-2-amine;difluoromethane
CID 164537196
N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537113
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]pyrazin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 164560910
[6-(difluoromethyl)-3-[6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-b]pyridazin-7-yl]methanol
CID 171431688
N-[(3R)-pyrrolidin-3-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
CID 164560903
2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961740

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine (CID 164537108) is N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine is CN(C)c1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1.
What is the InChIKey of N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is DEIHJHFEYFQJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-23(2)17-7-6-16-19-11-14(24(16)22-17)13-4-3-5-15(21-13)20-12-8-9-18-10-12/h3-7,11-12,18H,8-10H2,1-2H3,(H,20,21).
What are the key properties of N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 164537108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).