5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine

C21H20F2N10 — CID 58179483

IUPAC5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
SMILESNc1ncc(-c2cn(C3CNCCC34CC4)nn2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C21H20F2N10/c22-14-2-1-3-16(18(14)23)33-20(28-29-31-33)13-8-12(9-26-19(13)24)15-11-32(30-27-15)17-10-25-7-6-21(17)4-5-21/h1-3,8-9,11,17,25H,4-7,10H2,(H2,24,26)
InChIKeyUTNSAAQVRJVPCS-UHFFFAOYSA-N
MW450.46 g/mol
LogP2.16
Rot. Bonds4

About 5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine

5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine (PubChem CID 58179483) has the molecular formula C21H20F2N10 and a molecular weight of 450.46 g/mol. Its IUPAC name is 5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
PubChem CID58179483
Molecular FormulaC21H20F2N10
Molecular Weight450.46 g/mol
Exact Mass450.18
IUPAC Name5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
SMILESNc1ncc(-c2cn(C3CNCCC34CC4)nn2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C21H20F2N10/c22-14-2-1-3-16(18(14)23)33-20(28-29-31-33)13-8-12(9-26-19(13)24)15-11-32(30-27-15)17-10-25-7-6-21(17)4-5-21/h1-3,8-9,11,17,25H,4-7,10H2,(H2,24,26)
InChIKeyUTNSAAQVRJVPCS-UHFFFAOYSA-N
XLogP2.16
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine (CID 58179483) is 5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine is Nc1ncc(-c2cn(C3CNCCC34CC4)nn2)cc1-c1nnnn1-c1cccc(F)c1F.
What is the InChIKey of 5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
The InChIKey is UTNSAAQVRJVPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N10/c22-14-2-1-3-16(18(14)23)33-20(28-29-31-33)13-8-12(9-26-19(13)24)15-11-32(30-27-15)17-10-25-7-6-21(17)4-5-21/h1-3,8-9,11,17,25H,4-7,10H2,(H2,24,26).
What are the key properties of 5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine?
5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine has a molecular weight of 450.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 58179483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).