1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C21H24N6O2 — CID 154565618

IUPAC1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCC(C)c1noc(N2CCCC3(CCc4c3nc(-c3cccnc3)[nH]c4=O)C2)n1
InChIInChI=1S/C21H24N6O2/c1-13(2)17-25-20(29-26-17)27-10-4-7-21(12-27)8-6-15-16(21)23-18(24-19(15)28)14-5-3-9-22-11-14/h3,5,9,11,13H,4,6-8,10,12H2,1-2H3,(H,23,24,28)
InChIKeyHCENIBQQHAUXPM-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.82
Rot. Bonds3

About 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154565618) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154565618
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCC(C)c1noc(N2CCCC3(CCc4c3nc(-c3cccnc3)[nH]c4=O)C2)n1
InChIInChI=1S/C21H24N6O2/c1-13(2)17-25-20(29-26-17)27-10-4-7-21(12-27)8-6-15-16(21)23-18(24-19(15)28)14-5-3-9-22-11-14/h3,5,9,11,13H,4,6-8,10,12H2,1-2H3,(H,23,24,28)
InChIKeyHCENIBQQHAUXPM-UHFFFAOYSA-N
XLogP2.82
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one with MolForge

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Related Compounds

1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565296
1'-(cyclohexanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570554
1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564584
N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide
CID 154566009
1'-(1-aminocyclopentanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564282
1'-[2-(methylamino)pyrimidine-5-carbonyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565855
1'-(1H-imidazole-5-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155499288
1'-(6-aminopyridine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565415
1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492991
1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564869
3-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)benzonitrile
CID 155507593
1'-propylsulfonyl-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155498076

Frequently Asked Questions

What is the IUPAC name of 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154565618) is 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is CC(C)c1noc(N2CCCC3(CCc4c3nc(-c3cccnc3)[nH]c4=O)C2)n1.
What is the InChIKey of 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is HCENIBQQHAUXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13(2)17-25-20(29-26-17)27-10-4-7-21(12-27)8-6-15-16(21)23-18(24-19(15)28)14-5-3-9-22-11-14/h3,5,9,11,13H,4,6-8,10,12H2,1-2H3,(H,23,24,28).
What are the key properties of 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 392.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154565618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).