1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol

C26H37FN4O3 — CID 90729601

IUPAC1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol
SMILESOc1cc(CNC2CC2)c(O)n1CCCN1CCN(c2cc(F)ccc2OC2CCCC2)CC1
InChIInChI=1S/C26H37FN4O3/c27-20-6-9-24(34-22-4-1-2-5-22)23(17-20)30-14-12-29(13-15-30)10-3-11-31-25(32)16-19(26(31)33)18-28-21-7-8-21/h6,9,16-17,21-22,28,32-33H,1-5,7-8,10-15,18H2
InChIKeyCJTCZWONCAKOKJ-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.82
Rot. Bonds10

About 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol

1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol (PubChem CID 90729601) has the molecular formula C26H37FN4O3 and a molecular weight of 472.61 g/mol. Its IUPAC name is 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol
PubChem CID90729601
Molecular FormulaC26H37FN4O3
Molecular Weight472.61 g/mol
Exact Mass472.28
IUPAC Name1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol
SMILESOc1cc(CNC2CC2)c(O)n1CCCN1CCN(c2cc(F)ccc2OC2CCCC2)CC1
InChIInChI=1S/C26H37FN4O3/c27-20-6-9-24(34-22-4-1-2-5-22)23(17-20)30-14-12-29(13-15-30)10-3-11-31-25(32)16-19(26(31)33)18-28-21-7-8-21/h6,9,16-17,21-22,28,32-33H,1-5,7-8,10-15,18H2
InChIKeyCJTCZWONCAKOKJ-UHFFFAOYSA-N
XLogP3.82
TPSA73.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol?
The IUPAC name of 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol (CID 90729601) is 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol is Oc1cc(CNC2CC2)c(O)n1CCCN1CCN(c2cc(F)ccc2OC2CCCC2)CC1.
What is the InChIKey of 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol?
The InChIKey is CJTCZWONCAKOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN4O3/c27-20-6-9-24(34-22-4-1-2-5-22)23(17-20)30-14-12-29(13-15-30)10-3-11-31-25(32)16-19(26(31)33)18-28-21-7-8-21/h6,9,16-17,21-22,28,32-33H,1-5,7-8,10-15,18H2.
What are the key properties of 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol?
1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol has a molecular weight of 472.61 g/mol, XLogP of 3.82, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3-[(cyclopropylamino)methyl]pyrrole-2,5-diol is sourced from PubChem (CID 90729601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).