1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C24H27N5O2 — CID 157016956

IUPAC1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2c1CCC21CCN(c2nccc3ccccc23)CC1
InChIInChI=1S/C24H27N5O2/c30-22-19-5-7-24(20(19)26-23(27-22)29-13-15-31-16-14-29)8-11-28(12-9-24)21-18-4-2-1-3-17(18)6-10-25-21/h1-4,6,10H,5,7-9,11-16H2,(H,26,27,30)
InChIKeyHAKKPVIGQDPCST-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.64
Rot. Bonds2

About 1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 157016956) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID157016956
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2c1CCC21CCN(c2nccc3ccccc23)CC1
InChIInChI=1S/C24H27N5O2/c30-22-19-5-7-24(20(19)26-23(27-22)29-13-15-31-16-14-29)8-11-28(12-9-24)21-18-4-2-1-3-17(18)6-10-25-21/h1-4,6,10H,5,7-9,11-16H2,(H,26,27,30)
InChIKeyHAKKPVIGQDPCST-UHFFFAOYSA-N
XLogP2.64
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile
CID 155504520
1'-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157011351
1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155506794
2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155500772
4,5,6-trimethyl-2-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyridine-3-carbonitrile
CID 155506050
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
1'-[2-(4-hydroxyphenyl)acetyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156583638
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-chlorobenzoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494593
1'-(1-methylcyclopropanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155503582
1'-(2-hydroxypropanoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584666
1'-[4-(2-aminoethyl)benzoyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155508827

Frequently Asked Questions

What is the IUPAC name of 1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 157016956) is 1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is O=c1[nH]c(N2CCOCC2)nc2c1CCC21CCN(c2nccc3ccccc23)CC1.
What is the InChIKey of 1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is HAKKPVIGQDPCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-22-19-5-7-24(20(19)26-23(27-22)29-13-15-31-16-14-29)8-11-28(12-9-24)21-18-4-2-1-3-17(18)6-10-25-21/h1-4,6,10H,5,7-9,11-16H2,(H,26,27,30).
What are the key properties of 1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 417.51 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 157016956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).