1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine

C73H98F5N25O2 — CID 161000505

IUPAC1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine
SMILESCOc1cc(N2CCCC2)ncc1N.Nc1ccc(N2CC(F)(F)C2)nc1.Nc1ccc(N2CC(O)C2)nc1.Nc1ccc(N2CC3CC3C2)nc1.Nc1ccc(N2CC3CCC3C2)nc1.Nc1ccc(N2CCC2)nc1.Nc1cnc(N2CCCC2)cc1C(F)(F)F.Nc1cnc(N2CCCC2)cn1
InChIInChI=1S/C11H15N3.C10H12F3N3.C10H15N3O.C10H13N3.C8H9F2N3.C8H12N4.C8H11N3O.C8H11N3/c12-10-3-4-11(13-5-10)14-6-8-1-2-9(8)7-14;11-10(12,13)7-5-9(15-6-8(7)14)16-3-1-2-4-16;1-14-9-6-10(12-7-8(9)11)13-4-2-3-5-13;11-9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;9-8(10)4-13(5-8)7-2-1-6(11)3-12-7;9-7-5-11-8(6-10-7)12-3-1-2-4-12;9-6-1-2-8(10-3-6)11-4-7(12)5-11;9-7-2-3-8(10-6-7)11-4-1-5-11/h3-5,8-9H,1-2,6-7,12H2;5-6H,1-4,14H2;6-7H,2-5,11H2,1H3;1-2,4,7-8H,3,5-6,11H2;1-3H,4-5,11H2;5-6H,1-4H2,(H2,9,10);1-3,7,12H,4-5,9H2;2-3,6H,1,4-5,9H2
InChIKeyTVUQKRZSFFDHIY-UHFFFAOYSA-N
MW1452.75 g/mol
LogP8.68
Rot. Bonds9

About 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine

1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine (PubChem CID 161000505) has the molecular formula C73H98F5N25O2 and a molecular weight of 1452.75 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine
PubChem CID161000505
Molecular FormulaC73H98F5N25O2
Molecular Weight1452.75 g/mol
Exact Mass1451.83
IUPAC Name1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine
SMILESCOc1cc(N2CCCC2)ncc1N.Nc1ccc(N2CC(F)(F)C2)nc1.Nc1ccc(N2CC(O)C2)nc1.Nc1ccc(N2CC3CC3C2)nc1.Nc1ccc(N2CC3CCC3C2)nc1.Nc1ccc(N2CCC2)nc1.Nc1cnc(N2CCCC2)cc1C(F)(F)F.Nc1cnc(N2CCCC2)cn1
InChIInChI=1S/C11H15N3.C10H12F3N3.C10H15N3O.C10H13N3.C8H9F2N3.C8H12N4.C8H11N3O.C8H11N3/c12-10-3-4-11(13-5-10)14-6-8-1-2-9(8)7-14;11-10(12,13)7-5-9(15-6-8(7)14)16-3-1-2-4-16;1-14-9-6-10(12-7-8(9)11)13-4-2-3-5-13;11-9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;9-8(10)4-13(5-8)7-2-1-6(11)3-12-7;9-7-5-11-8(6-10-7)12-3-1-2-4-12;9-6-1-2-8(10-3-6)11-4-7(12)5-11;9-7-2-3-8(10-6-7)11-4-1-5-11/h3-5,8-9H,1-2,6-7,12H2;5-6H,1-4,14H2;6-7H,2-5,11H2,1H3;1-2,4,7-8H,3,5-6,11H2;1-3H,4-5,11H2;5-6H,1-4H2,(H2,9,10);1-3,7,12H,4-5,9H2;2-3,6H,1,4-5,9H2
InChIKeyTVUQKRZSFFDHIY-UHFFFAOYSA-N
XLogP8.68
TPSA379.55 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001452.75
LogP ≤ 58.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine (CID 161000505) is 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine is COc1cc(N2CCCC2)ncc1N.Nc1ccc(N2CC(F)(F)C2)nc1.Nc1ccc(N2CC(O)C2)nc1.Nc1ccc(N2CC3CC3C2)nc1.Nc1ccc(N2CC3CCC3C2)nc1.Nc1ccc(N2CCC2)nc1.Nc1cnc(N2CCCC2)cc1C(F)(F)F.Nc1cnc(N2CCCC2)cn1.
What is the InChIKey of 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
The InChIKey is TVUQKRZSFFDHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C10H12F3N3.C10H15N3O.C10H13N3.C8H9F2N3.C8H12N4.C8H11N3O.C8H11N3/c12-10-3-4-11(13-5-10)14-6-8-1-2-9(8)7-14;11-10(12,13)7-5-9(15-6-8(7)14)16-3-1-2-4-16;1-14-9-6-10(12-7-8(9)11)13-4-2-3-5-13;11-9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;9-8(10)4-13(5-8)7-2-1-6(11)3-12-7;9-7-5-11-8(6-10-7)12-3-1-2-4-12;9-6-1-2-8(10-3-6)11-4-7(12)5-11;9-7-2-3-8(10-6-7)11-4-1-5-11/h3-5,8-9H,1-2,6-7,12H2;5-6H,1-4,14H2;6-7H,2-5,11H2,1H3;1-2,4,7-8H,3,5-6,11H2;1-3H,4-5,11H2;5-6H,1-4H2,(H2,9,10);1-3,7,12H,4-5,9H2;2-3,6H,1,4-5,9H2.
What are the key properties of 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine has a molecular weight of 1452.75 g/mol, XLogP of 8.68, 9 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)azetidin-3-ol;6-(3-azabicyclo[3.2.0]heptan-3-yl)pyridin-3-amine;6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-amine;6-(azetidin-1-yl)pyridin-3-amine;6-(3,3-difluoroazetidin-1-yl)pyridin-3-amine;4-methoxy-6-pyrrolidin-1-ylpyridin-3-amine;5-pyrrolidin-1-ylpyrazin-2-amine;6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 161000505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).