N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

C18H21N5O2 — CID 135217255

IUPACN-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccco4)c(C)nc23)C1
InChIInChI=1S/C18H21N5O2/c1-11-9-15(22-7-6-14(10-22)20-13(3)24)18-19-12(2)17(23(18)21-11)16-5-4-8-25-16/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,20,24)/t14-/m1/s1
InChIKeyBWVWJSPQZYKWNB-CQSZACIVSA-N
MW339.40 g/mol
LogP2.32
Rot. Bonds3

About N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (PubChem CID 135217255) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
PubChem CID135217255
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccco4)c(C)nc23)C1
InChIInChI=1S/C18H21N5O2/c1-11-9-15(22-7-6-14(10-22)20-13(3)24)18-19-12(2)17(23(18)21-11)16-5-4-8-25-16/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,20,24)/t14-/m1/s1
InChIKeyBWVWJSPQZYKWNB-CQSZACIVSA-N
XLogP2.32
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 44537963
CID 44537963
CID 24768401
CID 24768401
CID 24768419
CID 24768419
CID 24768420
CID 24768420
CID 24768421
CID 24768421
CID 24768422
CID 24768422
CID 24768424
CID 24768424
CID 24768425
CID 24768425
CID 24768426
CID 24768426
CID 24768427
CID 24768427
CID 24768428
CID 24768428
CID 24768429
CID 24768429

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (CID 135217255) is N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccco4)c(C)nc23)C1.
What is the InChIKey of N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is BWVWJSPQZYKWNB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-9-15(22-7-6-14(10-22)20-13(3)24)18-19-12(2)17(23(18)21-11)16-5-4-8-25-16/h4-5,8-9,14H,6-7,10H2,1-3H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-(furan-2-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135217255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).