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

C22H24N6O — CID 135217342

IUPACN-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc5cc[nH]c5c4)c(C)nc23)C1
InChIInChI=1S/C22H24N6O/c1-13-10-20(27-9-7-18(12-27)25-15(3)29)22-24-14(2)21(28(22)26-13)17-5-4-16-6-8-23-19(16)11-17/h4-6,8,10-11,18,23H,7,9,12H2,1-3H3,(H,25,29)/t18-/m1/s1
InChIKeyDWYFRZOOIYGQEB-GOSISDBHSA-N
MW388.48 g/mol
LogP3.21
Rot. Bonds3

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

N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (PubChem CID 135217342) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
PubChem CID135217342
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc5cc[nH]c5c4)c(C)nc23)C1
InChIInChI=1S/C22H24N6O/c1-13-10-20(27-9-7-18(12-27)25-15(3)29)22-24-14(2)21(28(22)26-13)17-5-4-16-6-8-23-19(16)11-17/h4-6,8,10-11,18,23H,7,9,12H2,1-3H3,(H,25,29)/t18-/m1/s1
InChIKeyDWYFRZOOIYGQEB-GOSISDBHSA-N
XLogP3.21
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (CID 135217342) is N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc5cc[nH]c5c4)c(C)nc23)C1.
What is the InChIKey of N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is DWYFRZOOIYGQEB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N6O/c1-13-10-20(27-9-7-18(12-27)25-15(3)29)22-24-14(2)21(28(22)26-13)17-5-4-16-6-8-23-19(16)11-17/h4-6,8,10-11,18,23H,7,9,12H2,1-3H3,(H,25,29)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 388.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135217342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).