potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate

C17H25KN6O3 — CID 58119887

IUPACpotassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate
SMILES[2H]C(CCN([2H])C(=O)c1c([O-])c2n[nH]nc2n(C([2H])(C)C([2H])([2H])[2H])c1=O)N1C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H].[K+]
InChIInChI=1S/C17H26N6O3.K/c1-11(2)23-15-13(19-21-20-15)14(24)12(17(23)26)16(25)18-7-6-10-22-8-4-3-5-9-22;/h11,24H,3-10H2,1-2H3,(H,18,25)(H,19,20,21);/q;+1/p-1/i1D3,3D2,4D2,5D2,8D2,9D2,10D,11D;/hD
InChIKeyYUUCWVNRPPOROW-XAUNRLGTSA-M
MW416.62 g/mol
LogP-2.62
Rot. Bonds7

About potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate

potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate (PubChem CID 58119887) has the molecular formula C17H25KN6O3 and a molecular weight of 416.62 g/mol. Its IUPAC name is potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate.

Molecular Properties

Compound Namepotassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate
PubChem CID58119887
Molecular FormulaC17H25KN6O3
Molecular Weight416.62 g/mol
Exact Mass416.26
IUPAC Namepotassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate
SMILES[2H]C(CCN([2H])C(=O)c1c([O-])c2n[nH]nc2n(C([2H])(C)C([2H])([2H])[2H])c1=O)N1C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H].[K+]
InChIInChI=1S/C17H26N6O3.K/c1-11(2)23-15-13(19-21-20-15)14(24)12(17(23)26)16(25)18-7-6-10-22-8-4-3-5-9-22;/h11,24H,3-10H2,1-2H3,(H,18,25)(H,19,20,21);/q;+1/p-1/i1D3,3D2,4D2,5D2,8D2,9D2,10D,11D;/hD
InChIKeyYUUCWVNRPPOROW-XAUNRLGTSA-M
XLogP-2.62
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.62
LogP ≤ 5-2.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate?
The IUPAC name of potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate (CID 58119887) is potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate.
What is the SMILES notation for potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate?
The canonical SMILES for potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate is [2H]C(CCN([2H])C(=O)c1c([O-])c2n[nH]nc2n(C([2H])(C)C([2H])([2H])[2H])c1=O)N1C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H].[K+].
What is the InChIKey of potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate?
The InChIKey is YUUCWVNRPPOROW-XAUNRLGTSA-M. The full InChI is InChI=1S/C17H26N6O3.K/c1-11(2)23-15-13(19-21-20-15)14(24)12(17(23)26)16(25)18-7-6-10-22-8-4-3-5-9-22;/h11,24H,3-10H2,1-2H3,(H,18,25)(H,19,20,21);/q;+1/p-1/i1D3,3D2,4D2,5D2,8D2,9D2,10D,11D;/hD.
What are the key properties of potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate?
potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate has a molecular weight of 416.62 g/mol, XLogP of -2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-[[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-3-deuteriopropyl]-deuteriocarbamoyl]-5-oxo-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-triazolo[4,5-b]pyridin-7-olate is sourced from PubChem (CID 58119887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).