2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C20H26N6O3 — CID 156585439

IUPAC2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(Cc1ccn[nH]1)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C20H26N6O3/c27-16(13-14-2-6-21-24-14)25-7-4-20(5-8-25)3-1-15-17(20)22-19(23-18(15)28)26-9-11-29-12-10-26/h2,6H,1,3-5,7-13H2,(H,21,24)(H,22,23,28)
InChIKeyFUAMUHDKSOYWHN-UHFFFAOYSA-N
MW398.47 g/mol
LogP0.38
Rot. Bonds3

About 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 156585439) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID156585439
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(Cc1ccn[nH]1)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C20H26N6O3/c27-16(13-14-2-6-21-24-14)25-7-4-20(5-8-25)3-1-15-17(20)22-19(23-18(15)28)26-9-11-29-12-10-26/h2,6H,1,3-5,7-13H2,(H,21,24)(H,22,23,28)
InChIKeyFUAMUHDKSOYWHN-UHFFFAOYSA-N
XLogP0.38
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-[2-(4-hydroxyphenyl)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156583638
2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155500772
1'-(2-hydroxypropanoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584666
1'-(1-methylcyclopropanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155503582
1'-[4-(2-aminoethyl)benzoyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155508827
1'-(3-chloropyridine-4-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155509351
1'-(3-chlorobenzoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494593
1'-(3-amino-1H-pyrazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156586628
1'-(6-aminopyridine-2-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156586542
1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584740
2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494932
1'-(5-methyl-1,3-oxazole-4-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155504853

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 156585439) is 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is O=C(Cc1ccn[nH]1)N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1.
What is the InChIKey of 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is FUAMUHDKSOYWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c27-16(13-14-2-6-21-24-14)25-7-4-20(5-8-25)3-1-15-17(20)22-19(23-18(15)28)26-9-11-29-12-10-26/h2,6H,1,3-5,7-13H2,(H,21,24)(H,22,23,28).
What are the key properties of 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 398.47 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 156585439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).