3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide

C18H18FN5OS — CID 69364640

IUPAC3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(N3CCN(c4ccc(F)cc4)CC3)c2c1N
InChIInChI=1S/C18H18FN5OS/c19-11-1-3-12(4-2-11)23-7-9-24(10-8-23)13-5-6-22-18-14(13)15(20)16(26-18)17(21)25/h1-6H,7-10,20H2,(H2,21,25)
InChIKeyVBHHPGAXEGVAQL-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.44
Rot. Bonds3

About 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 69364640) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID69364640
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(N3CCN(c4ccc(F)cc4)CC3)c2c1N
InChIInChI=1S/C18H18FN5OS/c19-11-1-3-12(4-2-11)23-7-9-24(10-8-23)13-5-6-22-18-14(13)15(20)16(26-18)17(21)25/h1-6H,7-10,20H2,(H2,21,25)
InChIKeyVBHHPGAXEGVAQL-UHFFFAOYSA-N
XLogP2.44
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-[4-(4-methylsulfanylphenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69363221
3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 69365830
3-amino-4-[4-[4-(morpholine-4-carbonyl)phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 11496671
3-amino-4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69365102
3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69131930
4-[4-(4-acetyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3-aminothieno[2,3-b]pyridine-2-carboxamide
CID 11502568
3-amino-4-(4-pyridin-4-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide;(Z)-2-cyano-3-(4-pyridin-4-yl-1,4-diazepan-1-yl)but-2-enethioamide
CID 157475799
4-[4-(2-acetyl-3-aminothieno[2,3-b]pyridin-4-yl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide
CID 165087988
3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69365642
3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69366065
(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 171133137
4-acetamido-3-aminothieno[2,3-b]pyridine-2-carboxamide
CID 90436738

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 69364640) is 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nccc(N3CCN(c4ccc(F)cc4)CC3)c2c1N.
What is the InChIKey of 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VBHHPGAXEGVAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c19-11-1-3-12(4-2-11)23-7-9-24(10-8-23)13-5-6-22-18-14(13)15(20)16(26-18)17(21)25/h1-6H,7-10,20H2,(H2,21,25).
What are the key properties of 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 69364640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).