2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid

C20H15F2N7O2 — CID 58179880

IUPAC2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid
SMILESNc1ncc(-c2ccc(C(N)C(=O)O)cc2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C20H15F2N7O2/c21-14-2-1-3-15(16(14)22)29-19(26-27-28-29)13-8-12(9-25-18(13)24)10-4-6-11(7-5-10)17(23)20(30)31/h1-9,17H,23H2,(H2,24,25)(H,30,31)
InChIKeyQVVURIIBLYLQDG-UHFFFAOYSA-N
MW423.38 g/mol
LogP2.34
Rot. Bonds5

About 2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid

2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid (PubChem CID 58179880) has the molecular formula C20H15F2N7O2 and a molecular weight of 423.38 g/mol. Its IUPAC name is 2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid
PubChem CID58179880
Molecular FormulaC20H15F2N7O2
Molecular Weight423.38 g/mol
Exact Mass423.13
IUPAC Name2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid
SMILESNc1ncc(-c2ccc(C(N)C(=O)O)cc2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C20H15F2N7O2/c21-14-2-1-3-15(16(14)22)29-19(26-27-28-29)13-8-12(9-25-18(13)24)10-4-6-11(7-5-10)17(23)20(30)31/h1-9,17H,23H2,(H2,24,25)(H,30,31)
InChIKeyQVVURIIBLYLQDG-UHFFFAOYSA-N
XLogP2.34
TPSA145.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid (CID 58179880) is 2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid is Nc1ncc(-c2ccc(C(N)C(=O)O)cc2)cc1-c1nnnn1-c1cccc(F)c1F.
What is the InChIKey of 2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid?
The InChIKey is QVVURIIBLYLQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7O2/c21-14-2-1-3-15(16(14)22)29-19(26-27-28-29)13-8-12(9-25-18(13)24)10-4-6-11(7-5-10)17(23)20(30)31/h1-9,17H,23H2,(H2,24,25)(H,30,31).
What are the key properties of 2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid?
2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid has a molecular weight of 423.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetic acid is sourced from PubChem (CID 58179880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).