2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine

C19H22N4S — CID 89438907

IUPAC2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine
SMILESCN1CCN(Cc2ccc(-c3cc4nccc(N)c4s3)cc2)CC1
InChIInChI=1S/C19H22N4S/c1-22-8-10-23(11-9-22)13-14-2-4-15(5-3-14)18-12-17-19(24-18)16(20)6-7-21-17/h2-7,12H,8-11,13H2,1H3,(H2,20,21)
InChIKeyQTTXXMWDBQJPCL-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.29
Rot. Bonds3

About 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine

2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 89438907) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine
PubChem CID89438907
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine
SMILESCN1CCN(Cc2ccc(-c3cc4nccc(N)c4s3)cc2)CC1
InChIInChI=1S/C19H22N4S/c1-22-8-10-23(11-9-22)13-14-2-4-15(5-3-14)18-12-17-19(24-18)16(20)6-7-21-17/h2-7,12H,8-11,13H2,1H3,(H2,20,21)
InChIKeyQTTXXMWDBQJPCL-UHFFFAOYSA-N
XLogP3.29
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine (CID 89438907) is 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine is CN1CCN(Cc2ccc(-c3cc4nccc(N)c4s3)cc2)CC1.
What is the InChIKey of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is QTTXXMWDBQJPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-22-8-10-23(11-9-22)13-14-2-4-15(5-3-14)18-12-17-19(24-18)16(20)6-7-21-17/h2-7,12H,8-11,13H2,1H3,(H2,20,21).
What are the key properties of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine?
2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 338.48 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 89438907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).