1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one

C23H21FN6O — CID 55730425

IUPAC1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
SMILESO=C(C(Cc1ccccc1)n1cnnn1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C23H21FN6O/c24-18-6-7-19-20(14-25-21(19)13-18)17-8-10-29(11-9-17)23(31)22(30-15-26-27-28-30)12-16-4-2-1-3-5-16/h1-8,13-15,22,25H,9-12H2
InChIKeyUEYTULNEDVTZGI-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.39
Rot. Bonds5

About 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one

1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one (PubChem CID 55730425) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
PubChem CID55730425
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
SMILESO=C(C(Cc1ccccc1)n1cnnn1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C23H21FN6O/c24-18-6-7-19-20(14-25-21(19)13-18)17-8-10-29(11-9-17)23(31)22(30-15-26-27-28-30)12-16-4-2-1-3-5-16/h1-8,13-15,22,25H,9-12H2
InChIKeyUEYTULNEDVTZGI-UHFFFAOYSA-N
XLogP3.39
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one (CID 55730425) is 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one is O=C(C(Cc1ccccc1)n1cnnn1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is UEYTULNEDVTZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c24-18-6-7-19-20(14-25-21(19)13-18)17-8-10-29(11-9-17)23(31)22(30-15-26-27-28-30)12-16-4-2-1-3-5-16/h1-8,13-15,22,25H,9-12H2.
What are the key properties of 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 416.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 55730425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).