5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine

C18H20N4OS — CID 70004622

IUPAC5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine
SMILESCOc1cnc2sc(CN3CCN(c4ccccn4)CC3)cc2c1
InChIInChI=1S/C18H20N4OS/c1-23-15-10-14-11-16(24-18(14)20-12-15)13-21-6-8-22(9-7-21)17-4-2-3-5-19-17/h2-5,10-12H,6-9,13H2,1H3
InChIKeyDKERBDKEZXZJSS-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.02
Rot. Bonds4

About 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine

5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine (PubChem CID 70004622) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine
PubChem CID70004622
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine
SMILESCOc1cnc2sc(CN3CCN(c4ccccn4)CC3)cc2c1
InChIInChI=1S/C18H20N4OS/c1-23-15-10-14-11-16(24-18(14)20-12-15)13-21-6-8-22(9-7-21)17-4-2-3-5-19-17/h2-5,10-12H,6-9,13H2,1H3
InChIKeyDKERBDKEZXZJSS-UHFFFAOYSA-N
XLogP3.02
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine with MolForge

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Related Compounds

1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
CID 21120027
3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 17488526
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 10131909
2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 78787507
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960863
1-[(5-nitrothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 791316
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
5-(2,4-dimethoxyphenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
CID 9243459
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine?
The IUPAC name of 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine (CID 70004622) is 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine.
What is the SMILES notation for 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine?
The canonical SMILES for 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine is COc1cnc2sc(CN3CCN(c4ccccn4)CC3)cc2c1.
What is the InChIKey of 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine?
The InChIKey is DKERBDKEZXZJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-23-15-10-14-11-16(24-18(14)20-12-15)13-21-6-8-22(9-7-21)17-4-2-3-5-19-17/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine?
5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine has a molecular weight of 340.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine is sourced from PubChem (CID 70004622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).