1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione

C22H28N6O2 — CID 170241895

IUPAC1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc3c2cnn3C2CCN(CC3[C@H]4CNC[C@@H]34)CC2)C(=O)N1
InChIInChI=1S/C22H28N6O2/c29-21-6-9-27(22(30)25-21)19-2-1-3-20-17(19)12-24-28(20)14-4-7-26(8-5-14)13-18-15-10-23-11-16(15)18/h1-3,12,14-16,18,23H,4-11,13H2,(H,25,29,30)/t15-,16+,18?
InChIKeyZZKIAOHHZDUHHP-BYICEURKSA-N
MW408.51 g/mol
LogP1.58
Rot. Bonds4

About 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione

1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 170241895) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione
PubChem CID170241895
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc3c2cnn3C2CCN(CC3[C@H]4CNC[C@@H]34)CC2)C(=O)N1
InChIInChI=1S/C22H28N6O2/c29-21-6-9-27(22(30)25-21)19-2-1-3-20-17(19)12-24-28(20)14-4-7-26(8-5-14)13-18-15-10-23-11-16(15)18/h1-3,12,14-16,18,23H,4-11,13H2,(H,25,29,30)/t15-,16+,18?
InChIKeyZZKIAOHHZDUHHP-BYICEURKSA-N
XLogP1.58
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione (CID 170241895) is 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cccc3c2cnn3C2CCN(CC3[C@H]4CNC[C@@H]34)CC2)C(=O)N1.
What is the InChIKey of 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ZZKIAOHHZDUHHP-BYICEURKSA-N. The full InChI is InChI=1S/C22H28N6O2/c29-21-6-9-27(22(30)25-21)19-2-1-3-20-17(19)12-24-28(20)14-4-7-26(8-5-14)13-18-15-10-23-11-16(15)18/h1-3,12,14-16,18,23H,4-11,13H2,(H,25,29,30)/t15-,16+,18?.
What are the key properties of 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione?
1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 408.51 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170241895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).