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

C19H24N6O3 — CID 154566970

IUPAC1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=C(c1cnc[nH]1)N1CCCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)C1
InChIInChI=1S/C19H24N6O3/c26-16-13-2-4-19(15(13)22-18(23-16)24-6-8-28-9-7-24)3-1-5-25(11-19)17(27)14-10-20-12-21-14/h10,12H,1-9,11H2,(H,20,21)(H,22,23,26)
InChIKeyQGHJDSSMQPLTOW-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.45
Rot. Bonds2

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

1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154566970) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154566970
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=C(c1cnc[nH]1)N1CCCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)C1
InChIInChI=1S/C19H24N6O3/c26-16-13-2-4-19(15(13)22-18(23-16)24-6-8-28-9-7-24)3-1-5-25(11-19)17(27)14-10-20-12-21-14/h10,12H,1-9,11H2,(H,20,21)(H,22,23,26)
InChIKeyQGHJDSSMQPLTOW-UHFFFAOYSA-N
XLogP0.45
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154566970) is 1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is O=C(c1cnc[nH]1)N1CCCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)C1.
What is the InChIKey of 1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is QGHJDSSMQPLTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c26-16-13-2-4-19(15(13)22-18(23-16)24-6-8-28-9-7-24)3-1-5-25(11-19)17(27)14-10-20-12-21-14/h10,12H,1-9,11H2,(H,20,21)(H,22,23,26).
What are the key properties of 1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 384.44 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154566970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).