3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione

C22H30N6O2 — CID 169195348

IUPAC3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione
SMILESC1NCC2CC12.CN1CCC(n2ncc3c(N4CCC(=O)NC4=O)cccc32)CC1
InChIInChI=1S/C17H21N5O2.C5H9N/c1-20-8-5-12(6-9-20)22-15-4-2-3-14(13(15)11-18-22)21-10-7-16(23)19-17(21)24;1-4-2-6-3-5(1)4/h2-4,11-12H,5-10H2,1H3,(H,19,23,24);4-6H,1-3H2
InChIKeyANZDRBNAIHQLRH-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.98
Rot. Bonds2

About 3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione

3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 169195348) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione
PubChem CID169195348
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione
SMILESC1NCC2CC12.CN1CCC(n2ncc3c(N4CCC(=O)NC4=O)cccc32)CC1
InChIInChI=1S/C17H21N5O2.C5H9N/c1-20-8-5-12(6-9-20)22-15-4-2-3-14(13(15)11-18-22)21-10-7-16(23)19-17(21)24;1-4-2-6-3-5(1)4/h2-4,11-12H,5-10H2,1H3,(H,19,23,24);4-6H,1-3H2
InChIKeyANZDRBNAIHQLRH-UHFFFAOYSA-N
XLogP1.98
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione (CID 169195348) is 3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione is C1NCC2CC12.CN1CCC(n2ncc3c(N4CCC(=O)NC4=O)cccc32)CC1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ANZDRBNAIHQLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.C5H9N/c1-20-8-5-12(6-9-20)22-15-4-2-3-14(13(15)11-18-22)21-10-7-16(23)19-17(21)24;1-4-2-6-3-5(1)4/h2-4,11-12H,5-10H2,1H3,(H,19,23,24);4-6H,1-3H2.
What are the key properties of 3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione?
3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 410.52 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexane;1-[1-(1-methylpiperidin-4-yl)indazol-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 169195348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).