(5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H22N4OS — CID 53171076

IUPAC(5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2c(s1)CN(C1CC1)C2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4OS/c24-19(16-11-14-12-23(15-4-5-15)13-17(14)25-16)22-9-7-21(8-10-22)18-3-1-2-6-20-18/h1-3,6,11,15H,4-5,7-10,12-13H2
InChIKeyWBGGRCJLFLMUTN-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.58
Rot. Bonds3

About (5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 53171076) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is (5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID53171076
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2c(s1)CN(C1CC1)C2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4OS/c24-19(16-11-14-12-23(15-4-5-15)13-17(14)25-16)22-9-7-21(8-10-22)18-3-1-2-6-20-18/h1-3,6,11,15H,4-5,7-10,12-13H2
InChIKeyWBGGRCJLFLMUTN-UHFFFAOYSA-N
XLogP2.58
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 53171076) is (5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc2c(s1)CN(C1CC1)C2)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WBGGRCJLFLMUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c24-19(16-11-14-12-23(15-4-5-15)13-17(14)25-16)22-9-7-21(8-10-22)18-3-1-2-6-20-18/h1-3,6,11,15H,4-5,7-10,12-13H2.
What are the key properties of (5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 354.48 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53171076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).