2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole

C23H22FN3O — CID 58164180

IUPAC2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole
SMILESCCOc1ccc2c(c1)CC(C1=Nc3cc(-c4cn[nH]c4)cc(F)c3C1)CC2
InChIInChI=1S/C23H22FN3O/c1-2-28-19-6-5-14-3-4-15(7-16(14)8-19)22-11-20-21(24)9-17(10-23(20)27-22)18-12-25-26-13-18/h5-6,8-10,12-13,15H,2-4,7,11H2,1H3,(H,25,26)
InChIKeySLBYPIMQSVNKRK-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.05
Rot. Bonds4

About 2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole

2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole (PubChem CID 58164180) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole.

Molecular Properties

Compound Name2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole
PubChem CID58164180
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole
SMILESCCOc1ccc2c(c1)CC(C1=Nc3cc(-c4cn[nH]c4)cc(F)c3C1)CC2
InChIInChI=1S/C23H22FN3O/c1-2-28-19-6-5-14-3-4-15(7-16(14)8-19)22-11-20-21(24)9-17(10-23(20)27-22)18-12-25-26-13-18/h5-6,8-10,12-13,15H,2-4,7,11H2,1H3,(H,25,26)
InChIKeySLBYPIMQSVNKRK-UHFFFAOYSA-N
XLogP5.05
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-methoxy-2-naphthyl)-1H-pyrazole
CID 2740829
6-(3-ethoxyphenyl)-1H-indazole
CID 145952450
6-(3-ethoxy-2-fluorophenyl)-1H-indazole
CID 145949598
[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine
CID 166625737
8-methoxy-4,5-dihydro-1H-benzo[g]indazole
CID 12686516
7-methoxy-10,11-dihydro-3H-naphtho[1,2-g]indazole
CID 21821585
7-(Hexyloxy)-4,5-dihydro-1H-benzo[g]indazole
CID 51056150
7-(Hexadecyloxy)-4,5-dihydro-1H-benzo[g]indazole
CID 51062967
2-((4,5-Dihydro-1H-benzo[g]indazol-7-yl)oxy)-N,N-dimethylethanamine
CID 71387527
2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine
CID 90675207
7-hexoxy-10,11-dihydro-3H-naphtho[1,2-g]indazole
CID 90675208
(6aR,11aS)-2-methoxy-7,7,11a-trimethyl-6,6a,8,11-tetrahydro-5H-naphtho[1,2-f]indazole
CID 137661758

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole?
The IUPAC name of 2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole (CID 58164180) is 2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole.
What is the SMILES notation for 2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole?
The canonical SMILES for 2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole is CCOc1ccc2c(c1)CC(C1=Nc3cc(-c4cn[nH]c4)cc(F)c3C1)CC2.
What is the InChIKey of 2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole?
The InChIKey is SLBYPIMQSVNKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-2-28-19-6-5-14-3-4-15(7-16(14)8-19)22-11-20-21(24)9-17(10-23(20)27-22)18-12-25-26-13-18/h5-6,8-10,12-13,15H,2-4,7,11H2,1H3,(H,25,26).
What are the key properties of 2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole?
2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole has a molecular weight of 375.45 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-fluoro-6-(1H-pyrazol-4-yl)-3H-indole is sourced from PubChem (CID 58164180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).