tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

C19H23FN2O2 — CID 22595743

IUPACtert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1CC(c2c[nH]c3cc(F)ccc23)=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H23FN2O2/c1-12-9-13(7-8-22(12)18(23)24-19(2,3)4)16-11-21-17-10-14(20)5-6-15(16)17/h5-7,10-12,21H,8-9H2,1-4H3
InChIKeySHVSMVJGYZMRJR-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.72
Rot. Bonds1

About tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 22595743) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID22595743
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Nametert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1CC(c2c[nH]c3cc(F)ccc23)=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H23FN2O2/c1-12-9-13(7-8-22(12)18(23)24-19(2,3)4)16-11-21-17-10-14(20)5-6-15(16)17/h5-7,10-12,21H,8-9H2,1-4H3
InChIKeySHVSMVJGYZMRJR-UHFFFAOYSA-N
XLogP4.72
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 22595743) is tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is CC1CC(c2c[nH]c3cc(F)ccc23)=CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is SHVSMVJGYZMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-12-9-13(7-8-22(12)18(23)24-19(2,3)4)16-11-21-17-10-14(20)5-6-15(16)17/h5-7,10-12,21H,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 330.40 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-fluoro-1H-indol-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 22595743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).