2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone

C22H24N4O — CID 163309039

IUPAC2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)Cn3ccc4ccccc43)C1)CC2
InChIInChI=1S/C22H24N4O/c1-16-23-13-18-7-10-22(21(18)24-16)9-4-11-26(15-22)20(27)14-25-12-8-17-5-2-3-6-19(17)25/h2-3,5-6,8,12-13H,4,7,9-11,14-15H2,1H3
InChIKeyPOFBWGGPVGNJKU-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.25
Rot. Bonds2

About 2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone

2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone (PubChem CID 163309039) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
PubChem CID163309039
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)Cn3ccc4ccccc43)C1)CC2
InChIInChI=1S/C22H24N4O/c1-16-23-13-18-7-10-22(21(18)24-16)9-4-11-26(15-22)20(27)14-25-12-8-17-5-2-3-6-19(17)25/h2-3,5-6,8,12-13H,4,7,9-11,14-15H2,1H3
InChIKeyPOFBWGGPVGNJKU-UHFFFAOYSA-N
XLogP3.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone?
The IUPAC name of 2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone (CID 163309039) is 2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone is Cc1ncc2c(n1)C1(CCCN(C(=O)Cn3ccc4ccccc43)C1)CC2.
What is the InChIKey of 2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone?
The InChIKey is POFBWGGPVGNJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-23-13-18-7-10-22(21(18)24-16)9-4-11-26(15-22)20(27)14-25-12-8-17-5-2-3-6-19(17)25/h2-3,5-6,8,12-13H,4,7,9-11,14-15H2,1H3.
What are the key properties of 2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone?
2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone has a molecular weight of 360.46 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 163309039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).