(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C19H19FN4OS — CID 171133137

IUPAC(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccnc2sc(C(=O)N3CCN(c4ccccc4F)CC3)c(N)c12
InChIInChI=1S/C19H19FN4OS/c1-12-6-7-22-18-15(12)16(21)17(26-18)19(25)24-10-8-23(9-11-24)14-5-3-2-4-13(14)20/h2-7H,8-11,21H2,1H3
InChIKeyFESIMHOZSUYQRG-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.29
Rot. Bonds2

About (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 171133137) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID171133137
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccnc2sc(C(=O)N3CCN(c4ccccc4F)CC3)c(N)c12
InChIInChI=1S/C19H19FN4OS/c1-12-6-7-22-18-15(12)16(21)17(26-18)19(25)24-10-8-23(9-11-24)14-5-3-2-4-13(14)20/h2-7H,8-11,21H2,1H3
InChIKeyFESIMHOZSUYQRG-UHFFFAOYSA-N
XLogP3.29
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1442746
(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 23915429
(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102970996
1-(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)ethanone
CID 82395893
(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39115726
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
3-[(2-chlorophenyl)methyl]-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-one
CID 23996004
2-[6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 25113776
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 26584846
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302241
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 171133137) is (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Cc1ccnc2sc(C(=O)N3CCN(c4ccccc4F)CC3)c(N)c12.
What is the InChIKey of (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is FESIMHOZSUYQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-12-6-7-22-18-15(12)16(21)17(26-18)19(25)24-10-8-23(9-11-24)14-5-3-2-4-13(14)20/h2-7H,8-11,21H2,1H3.
What are the key properties of (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 171133137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).