2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine

C22H25N3S — CID 68995714

IUPAC2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine
SMILESCN1Cc2cc(N3CCCCC3)ccc2C(c2cc3cccnc3s2)C1
InChIInChI=1S/C22H25N3S/c1-24-14-17-12-18(25-10-3-2-4-11-25)7-8-19(17)20(15-24)21-13-16-6-5-9-23-22(16)26-21/h5-9,12-13,20H,2-4,10-11,14-15H2,1H3
InChIKeyFPUVXXNHNRGOQY-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.86
Rot. Bonds2

About 2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine

2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine (PubChem CID 68995714) has the molecular formula C22H25N3S and a molecular weight of 363.53 g/mol. Its IUPAC name is 2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine
PubChem CID68995714
Molecular FormulaC22H25N3S
Molecular Weight363.53 g/mol
Exact Mass363.18
IUPAC Name2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine
SMILESCN1Cc2cc(N3CCCCC3)ccc2C(c2cc3cccnc3s2)C1
InChIInChI=1S/C22H25N3S/c1-24-14-17-12-18(25-10-3-2-4-11-25)7-8-19(17)20(15-24)21-13-16-6-5-9-23-22(16)26-21/h5-9,12-13,20H,2-4,10-11,14-15H2,1H3
InChIKeyFPUVXXNHNRGOQY-UHFFFAOYSA-N
XLogP4.86
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68996731
4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68997392
2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine
CID 11630541
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 11602891
4-[4-(1-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994432
2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole
CID 168515104
4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
CID 68994860
4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68994272
4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68993734
4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68994251
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
CID 68994315
2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline
CID 129391704

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine?
The IUPAC name of 2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine (CID 68995714) is 2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine.
What is the SMILES notation for 2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine?
The canonical SMILES for 2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine is CN1Cc2cc(N3CCCCC3)ccc2C(c2cc3cccnc3s2)C1.
What is the InChIKey of 2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine?
The InChIKey is FPUVXXNHNRGOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S/c1-24-14-17-12-18(25-10-3-2-4-11-25)7-8-19(17)20(15-24)21-13-16-6-5-9-23-22(16)26-21/h5-9,12-13,20H,2-4,10-11,14-15H2,1H3.
What are the key properties of 2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine?
2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine has a molecular weight of 363.53 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine is sourced from PubChem (CID 68995714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).