1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine

C22H23FN6 — CID 110233638

IUPAC1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine
SMILESCN(C)C(CNCc1cc(-c2ccccc2)cn2nnnc12)c1ccc(F)cc1
InChIInChI=1S/C22H23FN6/c1-28(2)21(17-8-10-20(23)11-9-17)14-24-13-18-12-19(16-6-4-3-5-7-16)15-29-22(18)25-26-27-29/h3-12,15,21,24H,13-14H2,1-2H3
InChIKeyPVLKEBPDCOZKCD-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.32
Rot. Bonds7

About 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine

1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine (PubChem CID 110233638) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine
PubChem CID110233638
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine
SMILESCN(C)C(CNCc1cc(-c2ccccc2)cn2nnnc12)c1ccc(F)cc1
InChIInChI=1S/C22H23FN6/c1-28(2)21(17-8-10-20(23)11-9-17)14-24-13-18-12-19(16-6-4-3-5-7-16)15-29-22(18)25-26-27-29/h3-12,15,21,24H,13-14H2,1-2H3
InChIKeyPVLKEBPDCOZKCD-UHFFFAOYSA-N
XLogP3.32
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine (CID 110233638) is 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine is CN(C)C(CNCc1cc(-c2ccccc2)cn2nnnc12)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine?
The InChIKey is PVLKEBPDCOZKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6/c1-28(2)21(17-8-10-20(23)11-9-17)14-24-13-18-12-19(16-6-4-3-5-7-16)15-29-22(18)25-26-27-29/h3-12,15,21,24H,13-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine?
1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine has a molecular weight of 390.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(6-phenyltetrazolo[1,5-a]pyridin-8-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 110233638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).