4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine

C27H29N5O4 — CID 137405051

IUPAC4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine
SMILESCOc1ccc(C2CCc3cc(Cc4cnc5cc(N6CCOCC6)cnn45)cc(OC)c3O2)cn1
InChIInChI=1S/C27H29N5O4/c1-33-24-13-18(11-19-3-5-23(36-27(19)24)20-4-6-26(34-2)29-15-20)12-22-16-28-25-14-21(17-30-32(22)25)31-7-9-35-10-8-31/h4,6,11,13-17,23H,3,5,7-10,12H2,1-2H3
InChIKeyFJXXLJVPSLUUET-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.64
Rot. Bonds6

About 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine

4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine (PubChem CID 137405051) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine
PubChem CID137405051
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine
SMILESCOc1ccc(C2CCc3cc(Cc4cnc5cc(N6CCOCC6)cnn45)cc(OC)c3O2)cn1
InChIInChI=1S/C27H29N5O4/c1-33-24-13-18(11-19-3-5-23(36-27(19)24)20-4-6-26(34-2)29-15-20)12-22-16-28-25-14-21(17-30-32(22)25)31-7-9-35-10-8-31/h4,6,11,13-17,23H,3,5,7-10,12H2,1-2H3
InChIKeyFJXXLJVPSLUUET-UHFFFAOYSA-N
XLogP3.64
TPSA83.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine?
The IUPAC name of 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine (CID 137405051) is 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine.
What is the SMILES notation for 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine?
The canonical SMILES for 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine is COc1ccc(C2CCc3cc(Cc4cnc5cc(N6CCOCC6)cnn45)cc(OC)c3O2)cn1.
What is the InChIKey of 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine?
The InChIKey is FJXXLJVPSLUUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-33-24-13-18(11-19-3-5-23(36-27(19)24)20-4-6-26(34-2)29-15-20)12-22-16-28-25-14-21(17-30-32(22)25)31-7-9-35-10-8-31/h4,6,11,13-17,23H,3,5,7-10,12H2,1-2H3.
What are the key properties of 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine?
4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine has a molecular weight of 487.56 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[8-methoxy-2-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[1,2-b]pyridazin-7-yl]morpholine is sourced from PubChem (CID 137405051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).