N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

C24H30N6O2 — CID 135217247

IUPACN-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccc(N5CCOCC5)c4)c(C)nc23)C1
InChIInChI=1S/C24H30N6O2/c1-16-13-22(29-8-7-20(15-29)26-18(3)31)24-25-17(2)23(30(24)27-16)19-5-4-6-21(14-19)28-9-11-32-12-10-28/h4-6,13-14,20H,7-12,15H2,1-3H3,(H,26,31)/t20-/m1/s1
InChIKeyAIBQBESRCOODHO-HXUWFJFHSA-N
MW434.54 g/mol
LogP2.56
Rot. Bonds4

About N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (PubChem CID 135217247) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
PubChem CID135217247
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccc(N5CCOCC5)c4)c(C)nc23)C1
InChIInChI=1S/C24H30N6O2/c1-16-13-22(29-8-7-20(15-29)26-18(3)31)24-25-17(2)23(30(24)27-16)19-5-4-6-21(14-19)28-9-11-32-12-10-28/h4-6,13-14,20H,7-12,15H2,1-3H3,(H,26,31)/t20-/m1/s1
InChIKeyAIBQBESRCOODHO-HXUWFJFHSA-N
XLogP2.56
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (CID 135217247) is N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccc(N5CCOCC5)c4)c(C)nc23)C1.
What is the InChIKey of N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is AIBQBESRCOODHO-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-13-22(29-8-7-20(15-29)26-18(3)31)24-25-17(2)23(30(24)27-16)19-5-4-6-21(14-19)28-9-11-32-12-10-28/h4-6,13-14,20H,7-12,15H2,1-3H3,(H,26,31)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2,6-dimethyl-3-(3-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135217247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).