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

C29H31N7O2 — CID 86582451

IUPACN,N-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1
InChIInChI=1S/C29H31N7O2/c1-3-34(4-2)26-11-9-22(19-30-26)28-24(20-38-27-12-10-21-7-5-6-8-23(21)32-27)33-29-25(13-14-31-36(28)29)35-15-17-37-18-16-35/h5-14,19H,3-4,15-18,20H2,1-2H3
InChIKeyCYLSNCFBTHRKKT-UHFFFAOYSA-N
MW509.61 g/mol
LogP4.60
Rot. Bonds8

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

N,N-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (PubChem CID 86582451) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is N,N-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
PubChem CID86582451
Molecular FormulaC29H31N7O2
Molecular Weight509.61 g/mol
Exact Mass509.25
IUPAC NameN,N-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1
InChIInChI=1S/C29H31N7O2/c1-3-34(4-2)26-11-9-22(19-30-26)28-24(20-38-27-12-10-21-7-5-6-8-23(21)32-27)33-29-25(13-14-31-36(28)29)35-15-17-37-18-16-35/h5-14,19H,3-4,15-18,20H2,1-2H3
InChIKeyCYLSNCFBTHRKKT-UHFFFAOYSA-N
XLogP4.60
TPSA80.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-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-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (CID 86582451) is N,N-diethyl-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-diethyl-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-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is CCN(CC)c1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1.
What is the InChIKey of N,N-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The InChIKey is CYLSNCFBTHRKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-3-34(4-2)26-11-9-22(19-30-26)28-24(20-38-27-12-10-21-7-5-6-8-23(21)32-27)33-29-25(13-14-31-36(28)29)35-15-17-37-18-16-35/h5-14,19H,3-4,15-18,20H2,1-2H3.
What are the key properties of N,N-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
N,N-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine has a molecular weight of 509.61 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 86582451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).