N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline

C32H34N4O5 — CID 57406893

IUPACN,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline
SMILESCOc1cc(CN(Cc2cc(OC)cc(OC)c2)c2cc(-c3cn4nc(OC)ccc4n3)ccc2C)cc(OC)c1
InChIInChI=1S/C32H34N4O5/c1-21-7-8-24(29-20-36-31(33-29)9-10-32(34-36)41-6)15-30(21)35(18-22-11-25(37-2)16-26(12-22)38-3)19-23-13-27(39-4)17-28(14-23)40-5/h7-17,20H,18-19H2,1-6H3
InChIKeyTVNFUZUBSRAASM-UHFFFAOYSA-N
MW554.65 g/mol
LogP5.95
Rot. Bonds11

About N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline

N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline (PubChem CID 57406893) has the molecular formula C32H34N4O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline.

Molecular Properties

Compound NameN,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline
PubChem CID57406893
Molecular FormulaC32H34N4O5
Molecular Weight554.65 g/mol
Exact Mass554.25
IUPAC NameN,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline
SMILESCOc1cc(CN(Cc2cc(OC)cc(OC)c2)c2cc(-c3cn4nc(OC)ccc4n3)ccc2C)cc(OC)c1
InChIInChI=1S/C32H34N4O5/c1-21-7-8-24(29-20-36-31(33-29)9-10-32(34-36)41-6)15-30(21)35(18-22-11-25(37-2)16-26(12-22)38-3)19-23-13-27(39-4)17-28(14-23)40-5/h7-17,20H,18-19H2,1-6H3
InChIKeyTVNFUZUBSRAASM-UHFFFAOYSA-N
XLogP5.95
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline?
The IUPAC name of N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline (CID 57406893) is N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline.
What is the SMILES notation for N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline?
The canonical SMILES for N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline is COc1cc(CN(Cc2cc(OC)cc(OC)c2)c2cc(-c3cn4nc(OC)ccc4n3)ccc2C)cc(OC)c1.
What is the InChIKey of N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline?
The InChIKey is TVNFUZUBSRAASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O5/c1-21-7-8-24(29-20-36-31(33-29)9-10-32(34-36)41-6)15-30(21)35(18-22-11-25(37-2)16-26(12-22)38-3)19-23-13-27(39-4)17-28(14-23)40-5/h7-17,20H,18-19H2,1-6H3.
What are the key properties of N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline?
N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline has a molecular weight of 554.65 g/mol, XLogP of 5.95, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline is sourced from PubChem (CID 57406893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).