N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

C27H27N7O2 — CID 86582301

IUPACN,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESCN(C)c1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1
InChIInChI=1S/C27H27N7O2/c1-32(2)24-9-7-20(17-28-24)26-22(18-36-25-10-8-19-5-3-4-6-21(19)30-25)31-27-23(11-12-29-34(26)27)33-13-15-35-16-14-33/h3-12,17H,13-16,18H2,1-2H3
InChIKeyYISGQBFICNPOLF-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.82
Rot. Bonds6

About N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (PubChem CID 86582301) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
PubChem CID86582301
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC NameN,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESCN(C)c1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1
InChIInChI=1S/C27H27N7O2/c1-32(2)24-9-7-20(17-28-24)26-22(18-36-25-10-8-19-5-3-4-6-21(19)30-25)31-27-23(11-12-29-34(26)27)33-13-15-35-16-14-33/h3-12,17H,13-16,18H2,1-2H3
InChIKeyYISGQBFICNPOLF-UHFFFAOYSA-N
XLogP3.82
TPSA80.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (CID 86582301) is N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is CN(C)c1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1.
What is the InChIKey of N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The InChIKey is YISGQBFICNPOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-32(2)24-9-7-20(17-28-24)26-22(18-36-25-10-8-19-5-3-4-6-21(19)30-25)31-27-23(11-12-29-34(26)27)33-13-15-35-16-14-33/h3-12,17H,13-16,18H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine has a molecular weight of 481.56 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 86582301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).