3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole

C23H23FN2O — CID 10270024

IUPAC3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3=CCN(CC4CCc5ccccc5O4)CC3)c2c1
InChIInChI=1S/C23H23FN2O/c24-18-6-8-22-20(13-18)21(14-25-22)16-9-11-26(12-10-16)15-19-7-5-17-3-1-2-4-23(17)27-19/h1-4,6,8-9,13-14,19,25H,5,7,10-12,15H2
InChIKeyLHAYBCGCXBJMFD-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.79
Rot. Bonds3

About 3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole

3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole (PubChem CID 10270024) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
PubChem CID10270024
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3=CCN(CC4CCc5ccccc5O4)CC3)c2c1
InChIInChI=1S/C23H23FN2O/c24-18-6-8-22-20(13-18)21(14-25-22)16-9-11-26(12-10-16)15-19-7-5-17-3-1-2-4-23(17)27-19/h1-4,6,8-9,13-14,19,25H,5,7,10-12,15H2
InChIKeyLHAYBCGCXBJMFD-UHFFFAOYSA-N
XLogP4.79
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
The IUPAC name of 3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole (CID 10270024) is 3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole is Fc1ccc2[nH]cc(C3=CCN(CC4CCc5ccccc5O4)CC3)c2c1.
What is the InChIKey of 3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
The InChIKey is LHAYBCGCXBJMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-18-6-8-22-20(13-18)21(14-25-22)16-9-11-26(12-10-16)15-19-7-5-17-3-1-2-4-23(17)27-19/h1-4,6,8-9,13-14,19,25H,5,7,10-12,15H2.
What are the key properties of 3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole?
3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole has a molecular weight of 362.45 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole is sourced from PubChem (CID 10270024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).