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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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).