5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one

C24H29ClN4O2 — CID 170118897

IUPAC5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCCC1(c2ncc(OCCN3CCC4(CC3)C(=O)N(C)c3ccc(Cl)cc34)cn2)CC1
InChIInChI=1S/C24H29ClN4O2/c1-3-23(6-7-23)21-26-15-18(16-27-21)31-13-12-29-10-8-24(9-11-29)19-14-17(25)4-5-20(19)28(2)22(24)30/h4-5,14-16H,3,6-13H2,1-2H3
InChIKeyKJXSTXBJZOYUCX-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.96
Rot. Bonds6

About 5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one

5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 170118897) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID170118897
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCCC1(c2ncc(OCCN3CCC4(CC3)C(=O)N(C)c3ccc(Cl)cc34)cn2)CC1
InChIInChI=1S/C24H29ClN4O2/c1-3-23(6-7-23)21-26-15-18(16-27-21)31-13-12-29-10-8-24(9-11-29)19-14-17(25)4-5-20(19)28(2)22(24)30/h4-5,14-16H,3,6-13H2,1-2H3
InChIKeyKJXSTXBJZOYUCX-UHFFFAOYSA-N
XLogP3.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(5-Chloro-2-fluoro-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 138403737
[1-[5-(3-Chlorophenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659884
2-[2-[2-(5-Chloro-2-fluorophenyl)-4-[(3-methyl-4-pyridinyl)amino]pyrimidin-5-yl]oxyethyl]isoindole-1,3-dione
CID 60071161
5-chloro-1-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-6-(trifluoromethyl)-3H-indol-2-one
CID 71228668
1-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-5,6-difluoro-3H-indol-2-one
CID 71228682
1'-[(2-Chloro-4-morpholin-4-ylpyrimidin-5-yl)methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
CID 134242059
4-chloro-1-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-3H-indol-2-one
CID 145524313
6-tert-butyl-1-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-3-ethyl-3H-indol-2-one
CID 145524362
5-chloro-1'-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996371
5-chloro-1'-[2-[2-(1-methylsulfonylethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996384
5-chloro-1'-[2-[2-[(1R)-1,2-dihydroxyethyl]pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996565
5-chloro-1'-[2-[2-(3-hydroxy-3-methylcyclobutyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996612

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 170118897) is 5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one is CCC1(c2ncc(OCCN3CCC4(CC3)C(=O)N(C)c3ccc(Cl)cc34)cn2)CC1.
What is the InChIKey of 5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is KJXSTXBJZOYUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-3-23(6-7-23)21-26-15-18(16-27-21)31-13-12-29-10-8-24(9-11-29)19-14-17(25)4-5-20(19)28(2)22(24)30/h4-5,14-16H,3,6-13H2,1-2H3.
What are the key properties of 5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 440.98 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[2-[2-(1-ethylcyclopropyl)pyrimidin-5-yl]oxyethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 170118897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).