(4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone

C19H26N4OS — CID 91912349

IUPAC(4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCc3ncc(-c4ccsc4)n3C2)CC1
InChIInChI=1S/C19H26N4OS/c1-2-6-21-7-9-22(10-8-21)19(24)15-3-4-18-20-12-17(23(18)13-15)16-5-11-25-14-16/h5,11-12,14-15H,2-4,6-10,13H2,1H3
InChIKeyOBJQAQSNDPEMIY-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.73
Rot. Bonds4

About (4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone

(4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone (PubChem CID 91912349) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is (4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
PubChem CID91912349
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name(4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCc3ncc(-c4ccsc4)n3C2)CC1
InChIInChI=1S/C19H26N4OS/c1-2-6-21-7-9-22(10-8-21)19(24)15-3-4-18-20-12-17(23(18)13-15)16-5-11-25-14-16/h5,11-12,14-15H,2-4,6-10,13H2,1H3
InChIKeyOBJQAQSNDPEMIY-UHFFFAOYSA-N
XLogP2.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The IUPAC name of (4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone (CID 91912349) is (4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone.
What is the SMILES notation for (4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The canonical SMILES for (4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone is CCCN1CCN(C(=O)C2CCc3ncc(-c4ccsc4)n3C2)CC1.
What is the InChIKey of (4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The InChIKey is OBJQAQSNDPEMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-2-6-21-7-9-22(10-8-21)19(24)15-3-4-18-20-12-17(23(18)13-15)16-5-11-25-14-16/h5,11-12,14-15H,2-4,6-10,13H2,1H3.
What are the key properties of (4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
(4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone has a molecular weight of 358.51 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperazin-1-yl)-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone is sourced from PubChem (CID 91912349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).