[4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C30H35N3O3 — CID 42791427

IUPAC[4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3oc(C)cc3n2Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C30H35N3O3/c1-21-18-25-28(36-21)19-26(33(25)20-22-10-12-23(13-11-22)30(2,3)4)29(34)32-16-14-31(15-17-32)24-8-6-7-9-27(24)35-5/h6-13,18-19H,14-17,20H2,1-5H3
InChIKeyRWCOBXSGGHHJPY-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.86
Rot. Bonds5

About [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 42791427) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID42791427
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name[4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3oc(C)cc3n2Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C30H35N3O3/c1-21-18-25-28(36-21)19-26(33(25)20-22-10-12-23(13-11-22)30(2,3)4)29(34)32-16-14-31(15-17-32)24-8-6-7-9-27(24)35-5/h6-13,18-19H,14-17,20H2,1-5H3
InChIKeyRWCOBXSGGHHJPY-UHFFFAOYSA-N
XLogP5.86
TPSA50.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone 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

(4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42791288
(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 91958754
(1-benzyl-4-butan-2-yloxyindol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42666992
[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42791656
3-(4-tert-butylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 3260557
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-(4-tert-butylphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 53258173
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 122176392
1-[4-[4-[(2,4-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42791602
N-(4-tert-butylphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 53257717

Frequently Asked Questions

What is the IUPAC name of [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 42791427) is [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc3oc(C)cc3n2Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is RWCOBXSGGHHJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-21-18-25-28(36-21)19-26(33(25)20-22-10-12-23(13-11-22)30(2,3)4)29(34)32-16-14-31(15-17-32)24-8-6-7-9-27(24)35-5/h6-13,18-19H,14-17,20H2,1-5H3.
What are the key properties of [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 485.63 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 42791427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).