(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C21H24N4OS — CID 141110480

IUPAC(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cnc(N)c3c(-c4ccccc4)csc23)CC1
InChIInChI=1S/C21H24N4OS/c1-14(2)24-8-10-25(11-9-24)21(26)16-12-23-20(22)18-17(13-27-19(16)18)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,22,23)
InChIKeyOWYJZAPFIWVTQB-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.71
Rot. Bonds3

About (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 141110480) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID141110480
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cnc(N)c3c(-c4ccccc4)csc23)CC1
InChIInChI=1S/C21H24N4OS/c1-14(2)24-8-10-25(11-9-24)21(26)16-12-23-20(22)18-17(13-27-19(16)18)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,22,23)
InChIKeyOWYJZAPFIWVTQB-UHFFFAOYSA-N
XLogP3.71
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56813121
(5-methyl-4-phenylthiophen-3-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 135119045
(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
CID 18450643
(3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024444
3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide
CID 18450711
7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322450
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
(2-iodo-3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039262
[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 63107797
(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584913
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 141110480) is (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cnc(N)c3c(-c4ccccc4)csc23)CC1.
What is the InChIKey of (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is OWYJZAPFIWVTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-14(2)24-8-10-25(11-9-24)21(26)16-12-23-20(22)18-17(13-27-19(16)18)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,22,23).
What are the key properties of (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 380.52 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 141110480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).