4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline

C24H20N2S — CID 10796688

IUPAC4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline
SMILESc1ccc(-c2c(-c3cccs3)nc(-c3cccnc3)c3c2CCCC3)cc1
InChIInChI=1S/C24H20N2S/c1-2-8-17(9-3-1)22-19-11-4-5-12-20(19)23(18-10-6-14-25-16-18)26-24(22)21-13-7-15-27-21/h1-3,6-10,13-16H,4-5,11-12H2
InChIKeyHUTLSKOPJFWTRX-UHFFFAOYSA-N
MW368.50 g/mol
LogP6.42
Rot. Bonds3

About 4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline

4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline (PubChem CID 10796688) has the molecular formula C24H20N2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline
PubChem CID10796688
Molecular FormulaC24H20N2S
Molecular Weight368.50 g/mol
Exact Mass368.13
IUPAC Name4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline
SMILESc1ccc(-c2c(-c3cccs3)nc(-c3cccnc3)c3c2CCCC3)cc1
InChIInChI=1S/C24H20N2S/c1-2-8-17(9-3-1)22-19-11-4-5-12-20(19)23(18-10-6-14-25-16-18)26-24(22)21-13-7-15-27-21/h1-3,6-10,13-16H,4-5,11-12H2
InChIKeyHUTLSKOPJFWTRX-UHFFFAOYSA-N
XLogP6.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisochromen-3-one
CID 158109115
5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
CID 28709866
1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 122387474
2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline
CID 71522060
6-pyridin-3-yl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068614
3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline
CID 10850716
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
CID 71274188
3-methyl-5-phenyl-8-thiophen-2-yl-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),3,7-tetraene
CID 53472904
3,7-dimethyl-4-phenyl-2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine;hydrochloride
CID 43029675
6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one
CID 25158749
3-(1,3-dipyridin-4-ylazulen-2-yl)pyridine
CID 122224358
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline (CID 10796688) is 4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline is c1ccc(-c2c(-c3cccs3)nc(-c3cccnc3)c3c2CCCC3)cc1.
What is the InChIKey of 4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is HUTLSKOPJFWTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2S/c1-2-8-17(9-3-1)22-19-11-4-5-12-20(19)23(18-10-6-14-25-16-18)26-24(22)21-13-7-15-27-21/h1-3,6-10,13-16H,4-5,11-12H2.
What are the key properties of 4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline?
4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 368.50 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 10796688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).