4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine

C25H28N4O2 — CID 66751215

IUPAC4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine
SMILESCOc1cc(=C2N=c3ccccc3=C2CN2CCOCC2)[nH]c1=Cc1[nH]c(C)cc1C
InChIInChI=1S/C25H28N4O2/c1-16-12-17(2)26-21(16)13-22-24(30-3)14-23(27-22)25-19(15-29-8-10-31-11-9-29)18-6-4-5-7-20(18)28-25/h4-7,12-14,26-27H,8-11,15H2,1-3H3
InChIKeyADZJLFCRGBOZBU-UHFFFAOYSA-N
MW416.53 g/mol
LogP0.72
Rot. Bonds4

About 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine

4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine (PubChem CID 66751215) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine
PubChem CID66751215
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine
SMILESCOc1cc(=C2N=c3ccccc3=C2CN2CCOCC2)[nH]c1=Cc1[nH]c(C)cc1C
InChIInChI=1S/C25H28N4O2/c1-16-12-17(2)26-21(16)13-22-24(30-3)14-23(27-22)25-19(15-29-8-10-31-11-9-29)18-6-4-5-7-20(18)28-25/h4-7,12-14,26-27H,8-11,15H2,1-3H3
InChIKeyADZJLFCRGBOZBU-UHFFFAOYSA-N
XLogP0.72
TPSA65.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;4-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine;2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-phenylpiperazin-1-yl)methyl]indole
CID 160547571
2-[(5Z)-5-[(3-iodo-5-methyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-3-[(4-propylpiperazin-1-yl)methyl]indole
CID 158353380
2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine
CID 66750934
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]-N-(3-hydroxypropyl)indole-3-carboxamide
CID 67521323
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one
CID 11638882
2-[[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-(hydroxymethyl)-4-methoxypyrrol-2-ylidene]indol-3-yl]methylamino]ethanol;[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-[3-(methylaminomethyl)indol-2-ylidene]pyrrol-3-yl]methanol;[(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-methoxy-5-[3-[(propan-2-ylamino)methyl]-1H-indol-2-yl]cyclopenta-1,4-dien-1-yl]methanol
CID 159167270
[2-[(5Z)-5-[(2Z)-2-amino-3,5-dimethylhexa-2,4-dienylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]-(furan-3-yl)methanone
CID 163758287
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 174673146
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine (CID 66751215) is 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine is COc1cc(=C2N=c3ccccc3=C2CN2CCOCC2)[nH]c1=Cc1[nH]c(C)cc1C.
What is the InChIKey of 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine?
The InChIKey is ADZJLFCRGBOZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-16-12-17(2)26-21(16)13-22-24(30-3)14-23(27-22)25-19(15-29-8-10-31-11-9-29)18-6-4-5-7-20(18)28-25/h4-7,12-14,26-27H,8-11,15H2,1-3H3.
What are the key properties of 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine?
4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine has a molecular weight of 416.53 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indol-3-yl]methyl]morpholine is sourced from PubChem (CID 66751215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).