5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine

C23H23F2N7 — CID 24762467

IUPAC5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
SMILESCCN(CC)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1
InChIInChI=1S/C23H23F2N7/c1-3-31(4-2)14-15-8-10-16(11-9-15)17-12-18(22(26)27-13-17)23-28-29-30-32(23)20-7-5-6-19(24)21(20)25/h5-13H,3-4,14H2,1-2H3,(H2,26,27)
InChIKeyVFVRZHYIUQKGIS-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.09
Rot. Bonds7

About 5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine

5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine (PubChem CID 24762467) has the molecular formula C23H23F2N7 and a molecular weight of 435.48 g/mol. Its IUPAC name is 5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
PubChem CID24762467
Molecular FormulaC23H23F2N7
Molecular Weight435.48 g/mol
Exact Mass435.20
IUPAC Name5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
SMILESCCN(CC)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1
InChIInChI=1S/C23H23F2N7/c1-3-31(4-2)14-15-8-10-16(11-9-15)17-12-18(22(26)27-13-17)23-28-29-30-32(23)20-7-5-6-19(24)21(20)25/h5-13H,3-4,14H2,1-2H3,(H2,26,27)
InChIKeyVFVRZHYIUQKGIS-UHFFFAOYSA-N
XLogP4.09
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine (CID 24762467) is 5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine is CCN(CC)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1.
What is the InChIKey of 5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The InChIKey is VFVRZHYIUQKGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7/c1-3-31(4-2)14-15-8-10-16(11-9-15)17-12-18(22(26)27-13-17)23-28-29-30-32(23)20-7-5-6-19(24)21(20)25/h5-13H,3-4,14H2,1-2H3,(H2,26,27).
What are the key properties of 5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine has a molecular weight of 435.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylaminomethyl)phenyl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 24762467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).