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

C21H24N4O3 — CID 154564584

IUPAC1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCC1(C(=O)N2CCCC3(CCc4c3nc(-c3cccnc3)[nH]c4=O)C2)COC1
InChIInChI=1S/C21H24N4O3/c1-20(12-28-13-20)19(27)25-9-3-6-21(11-25)7-5-15-16(21)23-17(24-18(15)26)14-4-2-8-22-10-14/h2,4,8,10H,3,5-7,9,11-13H2,1H3,(H,23,24,26)
InChIKeyQIBPOWRUEVPKIH-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.67
Rot. Bonds2

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

1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154564584) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154564584
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCC1(C(=O)N2CCCC3(CCc4c3nc(-c3cccnc3)[nH]c4=O)C2)COC1
InChIInChI=1S/C21H24N4O3/c1-20(12-28-13-20)19(27)25-9-3-6-21(11-25)7-5-15-16(21)23-17(24-18(15)26)14-4-2-8-22-10-14/h2,4,8,10H,3,5-7,9,11-13H2,1H3,(H,23,24,26)
InChIKeyQIBPOWRUEVPKIH-UHFFFAOYSA-N
XLogP1.67
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(1-aminocyclopentanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564282
1'-(cyclohexanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570554
1'-[2-(methylamino)pyrimidine-5-carbonyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565855
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'-(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'-(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'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154568745
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

Frequently Asked Questions

What is the IUPAC name of 1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154564584) is 1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is CC1(C(=O)N2CCCC3(CCc4c3nc(-c3cccnc3)[nH]c4=O)C2)COC1.
What is the InChIKey of 1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is QIBPOWRUEVPKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-20(12-28-13-20)19(27)25-9-3-6-21(11-25)7-5-15-16(21)23-17(24-18(15)26)14-4-2-8-22-10-14/h2,4,8,10H,3,5-7,9,11-13H2,1H3,(H,23,24,26).
What are the key properties of 1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154564584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).