5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C20H23ClN4O4 — CID 168996565

IUPAC5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12CCN(CCOc1cnc([C@@H](O)CO)nc1)CC2
InChIInChI=1S/C20H23ClN4O4/c21-13-1-2-16-15(9-13)20(19(28)24-16)3-5-25(6-4-20)7-8-29-14-10-22-18(23-11-14)17(27)12-26/h1-2,9-11,17,26-27H,3-8,12H2,(H,24,28)/t17-/m0/s1
InChIKeyVIJXMDLNTJNTLA-KRWDZBQOSA-N
MW418.88 g/mol
LogP1.52
Rot. Bonds6

About 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one

5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 168996565) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID168996565
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC Name5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12CCN(CCOc1cnc([C@@H](O)CO)nc1)CC2
InChIInChI=1S/C20H23ClN4O4/c21-13-1-2-16-15(9-13)20(19(28)24-16)3-5-25(6-4-20)7-8-29-14-10-22-18(23-11-14)17(27)12-26/h1-2,9-11,17,26-27H,3-8,12H2,(H,24,28)/t17-/m0/s1
InChIKeyVIJXMDLNTJNTLA-KRWDZBQOSA-N
XLogP1.52
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 168996565) is 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2ccc(Cl)cc2C12CCN(CCOc1cnc([C@@H](O)CO)nc1)CC2.
What is the InChIKey of 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is VIJXMDLNTJNTLA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23ClN4O4/c21-13-1-2-16-15(9-13)20(19(28)24-16)3-5-25(6-4-20)7-8-29-14-10-22-18(23-11-14)17(27)12-26/h1-2,9-11,17,26-27H,3-8,12H2,(H,24,28)/t17-/m0/s1.
What are the key properties of 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 418.88 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 168996565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).