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

C20H23N5OS — CID 69365642

IUPAC3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(N2CCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2C)c1
InChIInChI=1S/C20H23N5OS/c1-12-4-3-5-14(10-12)25-9-8-24(11-13(25)2)15-6-7-23-20-16(15)17(21)18(27-20)19(22)26/h3-7,10,13H,8-9,11,21H2,1-2H3,(H2,22,26)
InChIKeyOQLZTVJSOOZTKF-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.00
Rot. Bonds3

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

3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 69365642) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID69365642
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(N2CCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2C)c1
InChIInChI=1S/C20H23N5OS/c1-12-4-3-5-14(10-12)25-9-8-24(11-13(25)2)15-6-7-23-20-16(15)17(21)18(27-20)19(22)26/h3-7,10,13H,8-9,11,21H2,1-2H3,(H2,22,26)
InChIKeyOQLZTVJSOOZTKF-UHFFFAOYSA-N
XLogP3.00
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69364640
3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69131930
3-amino-4-[4-(4-methylsulfanylphenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69363221
3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine
CID 15124627
3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69366065
[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 92875746
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297905
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-[4-(morpholine-4-carbonyl)phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 11496671
5-acetamido-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 98747638
5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 92746310

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 69365642) is 3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cccc(N2CCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2C)c1.
What is the InChIKey of 3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OQLZTVJSOOZTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-12-4-3-5-14(10-12)25-9-8-24(11-13(25)2)15-6-7-23-20-16(15)17(21)18(27-20)19(22)26/h3-7,10,13H,8-9,11,21H2,1-2H3,(H2,22,26).
What are the key properties of 3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 69365642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).