N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide

C25H34N4O5 — CID 143609149

IUPACN-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCO[C@@H]1CN(C(=O)C2(NC(=O)c3ccc(N4CCN(C)CC4)cc3)CCCC2)[C@@H]2C(=O)CO[C@@H]21
InChIInChI=1S/C25H34N4O5/c1-27-11-13-28(14-12-27)18-7-5-17(6-8-18)23(31)26-25(9-3-4-10-25)24(32)29-15-20(33-2)22-21(29)19(30)16-34-22/h5-8,20-22H,3-4,9-16H2,1-2H3,(H,26,31)/t20-,21-,22-/m1/s1
InChIKeyNIYABCBZRCXMEP-YPAWHYETSA-N
MW470.57 g/mol
LogP0.67
Rot. Bonds5

About N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide

N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 143609149) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID143609149
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC NameN-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCO[C@@H]1CN(C(=O)C2(NC(=O)c3ccc(N4CCN(C)CC4)cc3)CCCC2)[C@@H]2C(=O)CO[C@@H]21
InChIInChI=1S/C25H34N4O5/c1-27-11-13-28(14-12-27)18-7-5-17(6-8-18)23(31)26-25(9-3-4-10-25)24(32)29-15-20(33-2)22-21(29)19(30)16-34-22/h5-8,20-22H,3-4,9-16H2,1-2H3,(H,26,31)/t20-,21-,22-/m1/s1
InChIKeyNIYABCBZRCXMEP-YPAWHYETSA-N
XLogP0.67
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide 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

N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24891014
N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide
CID 143609144
N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 143609053
N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide
CID 143609041
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide
CID 24891317
N-[1-[(3aS,6S,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 24891655
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclopropylpiperazin-1-yl)benzamide
CID 24891065
N-[1-[(3aS,6R,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-propylpiperazin-1-yl)benzamide
CID 143609073
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide
CID 24891265
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide
CID 24891453
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
CID 68685905
N-[1-[(3aS,6S,6aS)-6-methylsulfanyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 143609080

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide (CID 143609149) is N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide is CO[C@@H]1CN(C(=O)C2(NC(=O)c3ccc(N4CCN(C)CC4)cc3)CCCC2)[C@@H]2C(=O)CO[C@@H]21.
What is the InChIKey of N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is NIYABCBZRCXMEP-YPAWHYETSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-27-11-13-28(14-12-27)18-7-5-17(6-8-18)23(31)26-25(9-3-4-10-25)24(32)29-15-20(33-2)22-21(29)19(30)16-34-22/h5-8,20-22H,3-4,9-16H2,1-2H3,(H,26,31)/t20-,21-,22-/m1/s1.
What are the key properties of N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 470.57 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 143609149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).