4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole

C19H22FN3S — CID 6488235

IUPAC4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole
SMILESCN1CCN(Cc2cc3sccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3S/c1-21-7-9-22(10-8-21)14-17-12-19-18(6-11-24-19)23(17)13-15-2-4-16(20)5-3-15/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyLDHWFDSMHRWNTF-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.64
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole

4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole (PubChem CID 6488235) has the molecular formula C19H22FN3S and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole
PubChem CID6488235
Molecular FormulaC19H22FN3S
Molecular Weight343.47 g/mol
Exact Mass343.15
IUPAC Name4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole
SMILESCN1CCN(Cc2cc3sccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3S/c1-21-7-9-22(10-8-21)14-17-12-19-18(6-11-24-19)23(17)13-15-2-4-16(20)5-3-15/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyLDHWFDSMHRWNTF-UHFFFAOYSA-N
XLogP3.64
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole (CID 6488235) is 4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole is CN1CCN(Cc2cc3sccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole?
The InChIKey is LDHWFDSMHRWNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3S/c1-21-7-9-22(10-8-21)14-17-12-19-18(6-11-24-19)23(17)13-15-2-4-16(20)5-3-15/h2-6,11-12H,7-10,13-14H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole?
4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole has a molecular weight of 343.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-b]pyrrole is sourced from PubChem (CID 6488235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).