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

C23H21F2N7 — CID 24762468

IUPAC3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C23H21F2N7/c24-19-4-3-5-20(21(19)25)32-23(28-29-30-32)18-12-17(13-27-22(18)26)16-8-6-15(7-9-16)14-31-10-1-2-11-31/h3-9,12-13H,1-2,10-11,14H2,(H2,26,27)
InChIKeyVVCLYSBMERVZKE-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.85
Rot. Bonds5

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

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine (PubChem CID 24762468) has the molecular formula C23H21F2N7 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
PubChem CID24762468
Molecular FormulaC23H21F2N7
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C23H21F2N7/c24-19-4-3-5-20(21(19)25)32-23(28-29-30-32)18-12-17(13-27-22(18)26)16-8-6-15(7-9-16)14-31-10-1-2-11-31/h3-9,12-13H,1-2,10-11,14H2,(H2,26,27)
InChIKeyVVCLYSBMERVZKE-UHFFFAOYSA-N
XLogP3.85
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine
CID 2801975
3-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(trifluoromethyl)pyridine
CID 2727089
4-[4-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-phenyl]-3-(1H-tetrazol-5-yl)-pyridine
CID 19976317
4-(4-Fluorophenyl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine
CID 56950881
4-(4-Fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine
CID 56950885
2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-yl-3-methylpyridine
CID 118978732
3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
CID 118978805
5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
CID 118978837
2-(2,6-Difluorobenzyl)-8-(2-(dimethylamino) pyridin-4-yl)-7-(4-fluorophenyl)-[l,2,4]triazolo [l,5-c]pyrmidin-5-amine
CID 146490662
5-Fluoro-2,4-diindolinylpyrimidine
CID 926200
4-(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-ylamine
CID 1472680
4-[4-(4-fluorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine
CID 1472687

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine (CID 24762468) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-c1nnnn1-c1cccc(F)c1F.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The InChIKey is VVCLYSBMERVZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7/c24-19-4-3-5-20(21(19)25)32-23(28-29-30-32)18-12-17(13-27-22(18)26)16-8-6-15(7-9-16)14-31-10-1-2-11-31/h3-9,12-13H,1-2,10-11,14H2,(H2,26,27).
What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine has a molecular weight of 433.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 24762468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).