2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine

C27H17N3OS — CID 23156529

IUPAC2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine
SMILESc1ccc(-c2cc3nccc(Oc4cc5cccnc5nc4-c4ccccc4)c3s2)cc1
InChIInChI=1S/C27H17N3OS/c1-3-8-18(9-4-1)24-17-21-26(32-24)22(13-15-28-21)31-23-16-20-12-7-14-29-27(20)30-25(23)19-10-5-2-6-11-19/h1-17H
InChIKeyJSPWEEZKEPYUHC-UHFFFAOYSA-N
MW431.52 g/mol
LogP7.37
Rot. Bonds4

About 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine

2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine (PubChem CID 23156529) has the molecular formula C27H17N3OS and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine
PubChem CID23156529
Molecular FormulaC27H17N3OS
Molecular Weight431.52 g/mol
Exact Mass431.11
IUPAC Name2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine
SMILESc1ccc(-c2cc3nccc(Oc4cc5cccnc5nc4-c4ccccc4)c3s2)cc1
InChIInChI=1S/C27H17N3OS/c1-3-8-18(9-4-1)24-17-21-26(32-24)22(13-15-28-21)31-23-16-20-12-7-14-29-27(20)30-25(23)19-10-5-2-6-11-19/h1-17H
InChIKeyJSPWEEZKEPYUHC-UHFFFAOYSA-N
XLogP7.37
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-Thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 25067202
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine
CID 164625289
N-(4-methoxyphenyl)-N-methyl-6-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 44583629
(2S)-1-N-[7-(3-methoxy-4-pyridinyl)-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596469
4-Quinolin-8-yloxythieno[2,3-d]pyrimidine
CID 2435279
5-(4-Fluorophenyl)-4-(quinolin-8-yloxy)thieno[2,3-d]pyrimidine
CID 3480079
(2S,6R)-4-[6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 137634050
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine
CID 164610318
4-(2,3-dihydroindol-1-yl)-N-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine
CID 164615267
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine
CID 164628533
5,6-Dimethyl-4-(8-quinolyloxy)thiopheno[2,3-d]pyrimidine
CID 675353
7-Methyl-4-quinolin-8-yloxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 3869194

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine?
The IUPAC name of 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine (CID 23156529) is 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine.
What is the SMILES notation for 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine?
The canonical SMILES for 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine is c1ccc(-c2cc3nccc(Oc4cc5cccnc5nc4-c4ccccc4)c3s2)cc1.
What is the InChIKey of 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine?
The InChIKey is JSPWEEZKEPYUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3OS/c1-3-8-18(9-4-1)24-17-21-26(32-24)22(13-15-28-21)31-23-16-20-12-7-14-29-27(20)30-25(23)19-10-5-2-6-11-19/h1-17H.
What are the key properties of 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine?
2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine has a molecular weight of 431.52 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine is sourced from PubChem (CID 23156529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).