[(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone

C42H49N5O4 — CID 166345356

IUPAC[(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(/C=C2/CC(C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)cc(OC)c1OC
InChIInChI=1S/C42H49N5O4/c1-26-13-14-47-34(27(2)43-37(47)19-26)25-45-15-17-46(18-16-45)41(48)38-31-11-9-10-12-33(31)44-39-29(23-30(24-32(38)39)42(3,4)5)20-28-21-35(49-6)40(51-8)36(22-28)50-7/h9-14,19-22,30H,15-18,23-25H2,1-8H3/b29-20-
InChIKeyYSDVLQJZNLTRGG-BRPDVVIDSA-N
MW687.89 g/mol
LogP7.63
Rot. Bonds7

About [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone

[(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 166345356) has the molecular formula C42H49N5O4 and a molecular weight of 687.89 g/mol. Its IUPAC name is [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID166345356
Molecular FormulaC42H49N5O4
Molecular Weight687.89 g/mol
Exact Mass687.38
IUPAC Name[(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(/C=C2/CC(C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)cc(OC)c1OC
InChIInChI=1S/C42H49N5O4/c1-26-13-14-47-34(27(2)43-37(47)19-26)25-45-15-17-46(18-16-45)41(48)38-31-11-9-10-12-33(31)44-39-29(23-30(24-32(38)39)42(3,4)5)20-28-21-35(49-6)40(51-8)36(22-28)50-7/h9-14,19-22,30H,15-18,23-25H2,1-8H3/b29-20-
InChIKeyYSDVLQJZNLTRGG-BRPDVVIDSA-N
XLogP7.63
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 166345957
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112802586
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 112771925
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 112770907
(4Z)-2-tert-butyl-N-[4-[phenyl(2H-tetrazol-5-yl)methyl]phenyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxamide
CID 167858242
(2R,4Z)-2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 92968853
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 75421319
2-tert-butyl-4-[(3-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 5219614
(2S,4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7435481
3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 112802213
2-tert-butyl-4-[(4-phenylmethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3434221
cyanomethyl 2-tert-butyl-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 5040439

Frequently Asked Questions

What is the IUPAC name of [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone (CID 166345356) is [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone is COc1cc(/C=C2/CC(C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)cc(OC)c1OC.
What is the InChIKey of [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is YSDVLQJZNLTRGG-BRPDVVIDSA-N. The full InChI is InChI=1S/C42H49N5O4/c1-26-13-14-47-34(27(2)43-37(47)19-26)25-45-15-17-46(18-16-45)41(48)38-31-11-9-10-12-33(31)44-39-29(23-30(24-32(38)39)42(3,4)5)20-28-21-35(49-6)40(51-8)36(22-28)50-7/h9-14,19-22,30H,15-18,23-25H2,1-8H3/b29-20-.
What are the key properties of [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
[(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 687.89 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-2-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 166345356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).