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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vactosertib
CID 54766013
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
Sutidiazine
CID 92045019
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
5-Fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
CID 89720345
9-ethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-amine
CID 118578642
3-(Benzotriazol-1-Yl)-5-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Amine
CID 126476620
6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
CID 5088145
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(piperidin-4-ylamino)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10116123
[5-(4-amino-piperidin-1-ylmethyl)-pyrrolo[2,1-f][1,2,4]triazin-4-yl]-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine
CID 10151881
5-((4-aminopiperidin-1-yl)methyl)-N-phenylpyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 11220978
5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluorophenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 21874248

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).