5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine

C17H15F4N7O — CID 162722865

IUPAC5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine
SMILESN/C(=C\N(N)Cc1ccc(-c2nnc(C(F)F)o2)c(F)c1F)c1ccc(N)nc1
InChIInChI=1S/C17H15F4N7O/c18-13-9(6-28(24)7-11(22)8-2-4-12(23)25-5-8)1-3-10(14(13)19)16-26-27-17(29-16)15(20)21/h1-5,7,15H,6,22,24H2,(H2,23,25)/b11-7-
InChIKeyGNQFCEGRDPPYGW-XFFZJAGNSA-N
MW409.35 g/mol
LogP2.56
Rot. Bonds6

About 5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine

5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine (PubChem CID 162722865) has the molecular formula C17H15F4N7O and a molecular weight of 409.35 g/mol. Its IUPAC name is 5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine
PubChem CID162722865
Molecular FormulaC17H15F4N7O
Molecular Weight409.35 g/mol
Exact Mass409.13
IUPAC Name5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine
SMILESN/C(=C\N(N)Cc1ccc(-c2nnc(C(F)F)o2)c(F)c1F)c1ccc(N)nc1
InChIInChI=1S/C17H15F4N7O/c18-13-9(6-28(24)7-11(22)8-2-4-12(23)25-5-8)1-3-10(14(13)19)16-26-27-17(29-16)15(20)21/h1-5,7,15H,6,22,24H2,(H2,23,25)/b11-7-
InChIKeyGNQFCEGRDPPYGW-XFFZJAGNSA-N
XLogP2.56
TPSA133.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine?
The IUPAC name of 5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine (CID 162722865) is 5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine.
What is the SMILES notation for 5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine?
The canonical SMILES for 5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine is N/C(=C\N(N)Cc1ccc(-c2nnc(C(F)F)o2)c(F)c1F)c1ccc(N)nc1.
What is the InChIKey of 5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine?
The InChIKey is GNQFCEGRDPPYGW-XFFZJAGNSA-N. The full InChI is InChI=1S/C17H15F4N7O/c18-13-9(6-28(24)7-11(22)8-2-4-12(23)25-5-8)1-3-10(14(13)19)16-26-27-17(29-16)15(20)21/h1-5,7,15H,6,22,24H2,(H2,23,25)/b11-7-.
What are the key properties of 5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine?
5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine has a molecular weight of 409.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine is sourced from PubChem (CID 162722865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).