5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one

C24H24N4O3 — CID 163313043

IUPAC5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)cc1=O
InChIInChI=1S/C24H24N4O3/c1-31-20-14-25-18(12-19(20)29)23(30)28-11-5-9-24(15-28)10-8-17-13-26-22(27-21(17)24)16-6-3-2-4-7-16/h2-4,6-7,12-14H,5,8-11,15H2,1H3,(H,25,29)
InChIKeyHENQIDFZOSUBOP-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.96
Rot. Bonds3

About 5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one

5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one (PubChem CID 163313043) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one
PubChem CID163313043
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)cc1=O
InChIInChI=1S/C24H24N4O3/c1-31-20-14-25-18(12-19(20)29)23(30)28-11-5-9-24(15-28)10-8-17-13-26-22(27-21(17)24)16-6-3-2-4-7-16/h2-4,6-7,12-14H,5,8-11,15H2,1H3,(H,25,29)
InChIKeyHENQIDFZOSUBOP-UHFFFAOYSA-N
XLogP2.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one (CID 163313043) is 5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one is COc1c[nH]c(C(=O)N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)cc1=O.
What is the InChIKey of 5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one?
The InChIKey is HENQIDFZOSUBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-31-20-14-25-18(12-19(20)29)23(30)28-11-5-9-24(15-28)10-8-17-13-26-22(27-21(17)24)16-6-3-2-4-7-16/h2-4,6-7,12-14H,5,8-11,15H2,1H3,(H,25,29).
What are the key properties of 5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one?
5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one has a molecular weight of 416.48 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 163313043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).