4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one

C24H31N7O2 — CID 155818213

IUPAC4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one
SMILESCC1CN(c2ccc(NC3=NC4C(C=N3)C=C3C(=O)NCC5(CCCC5)N34)nc2)CC(C)O1
InChIInChI=1S/C24H31N7O2/c1-15-12-30(13-16(2)33-15)18-5-6-20(25-11-18)28-23-26-10-17-9-19-22(32)27-14-24(7-3-4-8-24)31(19)21(17)29-23/h5-6,9-11,15-17,21H,3-4,7-8,12-14H2,1-2H3,(H,27,32)(H,25,28,29)
InChIKeyLUNNUDCFOOEYJM-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.13
Rot. Bonds2

About 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one

4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one (PubChem CID 155818213) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one.

Molecular Properties

Compound Name4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one
PubChem CID155818213
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one
SMILESCC1CN(c2ccc(NC3=NC4C(C=N3)C=C3C(=O)NCC5(CCCC5)N34)nc2)CC(C)O1
InChIInChI=1S/C24H31N7O2/c1-15-12-30(13-16(2)33-15)18-5-6-20(25-11-18)28-23-26-10-17-9-19-22(32)27-14-24(7-3-4-8-24)31(19)21(17)29-23/h5-6,9-11,15-17,21H,3-4,7-8,12-14H2,1-2H3,(H,27,32)(H,25,28,29)
InChIKeyLUNNUDCFOOEYJM-UHFFFAOYSA-N
XLogP2.13
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one?
The IUPAC name of 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one (CID 155818213) is 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one.
What is the SMILES notation for 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one?
The canonical SMILES for 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one is CC1CN(c2ccc(NC3=NC4C(C=N3)C=C3C(=O)NCC5(CCCC5)N34)nc2)CC(C)O1.
What is the InChIKey of 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one?
The InChIKey is LUNNUDCFOOEYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-15-12-30(13-16(2)33-15)18-5-6-20(25-11-18)28-23-26-10-17-9-19-22(32)27-14-24(7-3-4-8-24)31(19)21(17)29-23/h5-6,9-11,15-17,21H,3-4,7-8,12-14H2,1-2H3,(H,27,32)(H,25,28,29).
What are the key properties of 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one?
4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one has a molecular weight of 449.56 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-3,5,8-triene-13,1'-cyclopentane]-10-one is sourced from PubChem (CID 155818213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).