N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine

C16H23N5O — CID 171359659

IUPACN-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESc1cn2nc(N[C@H]3CCN(CC4CCOCC4)C3)ccc2n1
InChIInChI=1S/C16H23N5O/c1-2-16-17-6-8-21(16)19-15(1)18-14-3-7-20(12-14)11-13-4-9-22-10-5-13/h1-2,6,8,13-14H,3-5,7,9-12H2,(H,18,19)/t14-/m0/s1
InChIKeyXZUYENLTXSZLGA-AWEZNQCLSA-N
MW301.39 g/mol
LogP1.64
Rot. Bonds4

About N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine

N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 171359659) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID171359659
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESc1cn2nc(N[C@H]3CCN(CC4CCOCC4)C3)ccc2n1
InChIInChI=1S/C16H23N5O/c1-2-16-17-6-8-21(16)19-15(1)18-14-3-7-20(12-14)11-13-4-9-22-10-5-13/h1-2,6,8,13-14H,3-5,7,9-12H2,(H,18,19)/t14-/m0/s1
InChIKeyXZUYENLTXSZLGA-AWEZNQCLSA-N
XLogP1.64
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine
CID 73346435
N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73353993
3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73357072
3-Bromo-N-(3-morpholinopropyl)imidazo[1,2-b]pyridazin-6-amine
CID 68647836
[3-[(2-Methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone
CID 122158887
4-imidazo[1,2-b]pyridazin-6-yl-N-[(3S)-3-imidazol-1-ylbutyl]piperazine-1-carboxamide
CID 125523707
3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide
CID 127976846
N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine
CID 164629405
tert-Butyl(tetrahydro-2H-pyran-4-yl)methyl(6-(1,1,1-trifluoro-2-methylpropan-2-ylamino)imidazo[1,2-b]pyridazin-8-yl)carbamate
CID 66604143
3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 66888405
1,1,1-Trifluoro-3-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]propan-2-ol
CID 122154461
(2R)-1,1,1-trifluoro-3-[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]propan-2-ol
CID 125535994

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine (CID 171359659) is N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine is c1cn2nc(N[C@H]3CCN(CC4CCOCC4)C3)ccc2n1.
What is the InChIKey of N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is XZUYENLTXSZLGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O/c1-2-16-17-6-8-21(16)19-15(1)18-14-3-7-20(12-14)11-13-4-9-22-10-5-13/h1-2,6,8,13-14H,3-5,7,9-12H2,(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine?
N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 301.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 171359659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).