1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione

C24H32N6O2 — CID 169195244

IUPAC1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc3c2cnn3C2CCN(CC3CC4CCC(C3)N4)CC2)C(=O)N1
InChIInChI=1S/C24H32N6O2/c31-23-8-11-29(24(32)27-23)21-2-1-3-22-20(21)14-25-30(22)19-6-9-28(10-7-19)15-16-12-17-4-5-18(13-16)26-17/h1-3,14,16-19,26H,4-13,15H2,(H,27,31,32)
InChIKeyVNOFYJDFKHBUCN-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.65
Rot. Bonds4

About 1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione

1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 169195244) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione
PubChem CID169195244
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc3c2cnn3C2CCN(CC3CC4CCC(C3)N4)CC2)C(=O)N1
InChIInChI=1S/C24H32N6O2/c31-23-8-11-29(24(32)27-23)21-2-1-3-22-20(21)14-25-30(22)19-6-9-28(10-7-19)15-16-12-17-4-5-18(13-16)26-17/h1-3,14,16-19,26H,4-13,15H2,(H,27,31,32)
InChIKeyVNOFYJDFKHBUCN-UHFFFAOYSA-N
XLogP2.65
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione (CID 169195244) is 1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cccc3c2cnn3C2CCN(CC3CC4CCC(C3)N4)CC2)C(=O)N1.
What is the InChIKey of 1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is VNOFYJDFKHBUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c31-23-8-11-29(24(32)27-23)21-2-1-3-22-20(21)14-25-30(22)19-6-9-28(10-7-19)15-16-12-17-4-5-18(13-16)26-17/h1-3,14,16-19,26H,4-13,15H2,(H,27,31,32).
What are the key properties of 1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione?
1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 436.56 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-yl]indazol-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 169195244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).