3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione

About 3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione

3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione (PubChem CID 178017635) has the molecular formula C34H45F2N9O5S and a molecular weight of 729.86 g/mol. Its IUPAC name is 3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione
PubChem CID	178017635
Molecular Formula	C34H45F2N9O5S
Molecular Weight	729.86 g/mol
Exact Mass	729.32
IUPAC Name	3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione
SMILES	Cc1cc2c(C3CCC(=O)NC3=O)nn(C)c2cc1N1CCC2(CC1)CN(CCCS(=O)(=O)N1CCC(Nc3ncc(OC(F)F)cn3)CC1)C2
InChI	InChI=1S/C34H45F2N9O5S/c1-22-16-26-28(42(2)41-30(26)25-4-5-29(46)40-31(25)47)17-27(22)44-13-8-34(9-14-44)20-43(21-34)10-3-15-51(48,49)45-11-6-23(7-12-45)39-33-37-18-24(19-38-33)50-32(35)36/h16-19,23,25,32H,3-15,20-21H2,1-2H3,(H,37,38,39)(H,40,46,47)
InChIKey	DUUCQVGCJOUYMH-UHFFFAOYSA-N
XLogP	2.99
TPSA	154.89 Å²
H-Bond Donors	2
H-Bond Acceptors	12
Rotatable Bonds	11
Heavy Atoms	51
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.86
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione (CID 178017635) is 3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione is Cc1cc2c(C3CCC(=O)NC3=O)nn(C)c2cc1N1CCC2(CC1)CN(CCCS(=O)(=O)N1CCC(Nc3ncc(OC(F)F)cn3)CC1)C2.

What is the InChIKey of 3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione?

The InChIKey is DUUCQVGCJOUYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45F2N9O5S/c1-22-16-26-28(42(2)41-30(26)25-4-5-29(46)40-31(25)47)17-27(22)44-13-8-34(9-14-44)20-43(21-34)10-3-15-51(48,49)45-11-6-23(7-12-45)39-33-37-18-24(19-38-33)50-32(35)36/h16-19,23,25,32H,3-15,20-21H2,1-2H3,(H,37,38,39)(H,40,46,47).

What are the key properties of 3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione?

3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 729.86 g/mol, XLogP of 2.99, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1,5-dimethylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 178017635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).