N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide

C20H14F3N7O — CID 58180071

IUPACN-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1F
InChIInChI=1S/C20H14F3N7O/c1-10(31)26-16-6-5-11(8-15(16)22)12-7-13(19(24)25-9-12)20-27-28-29-30(20)17-4-2-3-14(21)18(17)23/h2-9H,1H3,(H2,24,25)(H,26,31)
InChIKeyJLASFRXUPURSBW-UHFFFAOYSA-N
MW425.37 g/mol
LogP3.35
Rot. Bonds4

About N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide

N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide (PubChem CID 58180071) has the molecular formula C20H14F3N7O and a molecular weight of 425.37 g/mol. Its IUPAC name is N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide
PubChem CID58180071
Molecular FormulaC20H14F3N7O
Molecular Weight425.37 g/mol
Exact Mass425.12
IUPAC NameN-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1F
InChIInChI=1S/C20H14F3N7O/c1-10(31)26-16-6-5-11(8-15(16)22)12-7-13(19(24)25-9-12)20-27-28-29-30(20)17-4-2-3-14(21)18(17)23/h2-9H,1H3,(H2,24,25)(H,26,31)
InChIKeyJLASFRXUPURSBW-UHFFFAOYSA-N
XLogP3.35
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide (CID 58180071) is N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1F.
What is the InChIKey of N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide?
The InChIKey is JLASFRXUPURSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N7O/c1-10(31)26-16-6-5-11(8-15(16)22)12-7-13(19(24)25-9-12)20-27-28-29-30(20)17-4-2-3-14(21)18(17)23/h2-9H,1H3,(H2,24,25)(H,26,31).
What are the key properties of N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide?
N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide has a molecular weight of 425.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 58180071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).