[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone

C16H21N5O2 — CID 129344909

IUPAC[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
SMILESO=C([C@@H]1CCCCO1)N1CC[C@H](Nc2ccc3nccn3n2)C1
InChIInChI=1S/C16H21N5O2/c22-16(13-3-1-2-10-23-13)20-8-6-12(11-20)18-14-4-5-15-17-7-9-21(15)19-14/h4-5,7,9,12-13H,1-3,6,8,10-11H2,(H,18,19)/t12-,13-/m0/s1
InChIKeyKFCPZYUGQTVQIU-STQMWFEESA-N
MW315.38 g/mol
LogP1.31
Rot. Bonds3

About [(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone

[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone (PubChem CID 129344909) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
PubChem CID129344909
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
SMILESO=C([C@@H]1CCCCO1)N1CC[C@H](Nc2ccc3nccn3n2)C1
InChIInChI=1S/C16H21N5O2/c22-16(13-3-1-2-10-23-13)20-8-6-12(11-20)18-14-4-5-15-17-7-9-21(15)19-14/h4-5,7,9,12-13H,1-3,6,8,10-11H2,(H,18,19)/t12-,13-/m0/s1
InChIKeyKFCPZYUGQTVQIU-STQMWFEESA-N
XLogP1.31
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-cyclohexylcyclopropyl)-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
CID 127977367
[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129344896
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 129344923
2,3-dihydro-1-benzofuran-7-yl-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]methanone
CID 136565252
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 127977513
3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(4-methylthiophen-3-yl)pyrrolidine-1-carboxamide
CID 127974969
4-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 154744597
(2R)-1-[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 129344930
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone
CID 154740102
2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
CID 137203475
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56778579
N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327694

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone?
The IUPAC name of [(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone (CID 129344909) is [(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone.
What is the SMILES notation for [(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone?
The canonical SMILES for [(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone is O=C([C@@H]1CCCCO1)N1CC[C@H](Nc2ccc3nccn3n2)C1.
What is the InChIKey of [(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone?
The InChIKey is KFCPZYUGQTVQIU-STQMWFEESA-N. The full InChI is InChI=1S/C16H21N5O2/c22-16(13-3-1-2-10-23-13)20-8-6-12(11-20)18-14-4-5-15-17-7-9-21(15)19-14/h4-5,7,9,12-13H,1-3,6,8,10-11H2,(H,18,19)/t12-,13-/m0/s1.
What are the key properties of [(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone?
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone has a molecular weight of 315.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone is sourced from PubChem (CID 129344909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).