2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline

C23H27FN4 — CID 15285679

IUPAC2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline
SMILESFc1ccc2c(C3CCN(CCN4CCc5ccccc5C4)CC3)[nH]nc2c1
InChIInChI=1S/C23H27FN4/c24-20-5-6-21-22(15-20)25-26-23(21)18-8-10-27(11-9-18)13-14-28-12-7-17-3-1-2-4-19(17)16-28/h1-6,15,18H,7-14,16H2,(H,25,26)
InChIKeyXXCVCAWFOLOZNL-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.94
Rot. Bonds4

About 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline

2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 15285679) has the molecular formula C23H27FN4 and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID15285679
Molecular FormulaC23H27FN4
Molecular Weight378.50 g/mol
Exact Mass378.22
IUPAC Name2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline
SMILESFc1ccc2c(C3CCN(CCN4CCc5ccccc5C4)CC3)[nH]nc2c1
InChIInChI=1S/C23H27FN4/c24-20-5-6-21-22(15-20)25-26-23(21)18-8-10-27(11-9-18)13-14-28-12-7-17-3-1-2-4-19(17)16-28/h1-6,15,18H,7-14,16H2,(H,25,26)
InChIKeyXXCVCAWFOLOZNL-UHFFFAOYSA-N
XLogP3.94
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline (CID 15285679) is 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline is Fc1ccc2c(C3CCN(CCN4CCc5ccccc5C4)CC3)[nH]nc2c1.
What is the InChIKey of 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is XXCVCAWFOLOZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4/c24-20-5-6-21-22(15-20)25-26-23(21)18-8-10-27(11-9-18)13-14-28-12-7-17-3-1-2-4-19(17)16-28/h1-6,15,18H,7-14,16H2,(H,25,26).
What are the key properties of 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline?
2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 378.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 15285679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).