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

C24H30N6O2 — CID 155506050

IUPAC4,5,6-trimethyl-2-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyridine-3-carbonitrile
SMILESCc1nc(N2CCC3(CCc4c3nc(N3CCOCC3)[nH]c4=O)CC2)c(C#N)c(C)c1C
InChIInChI=1S/C24H30N6O2/c1-15-16(2)19(14-25)21(26-17(15)3)29-8-6-24(7-9-29)5-4-18-20(24)27-23(28-22(18)31)30-10-12-32-13-11-30/h4-13H2,1-3H3,(H,27,28,31)
InChIKeyPHBNORHFNVELSO-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.28
Rot. Bonds2

About 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

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 (PubChem CID 155506050) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5,6-trimethyl-2-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyridine-3-carbonitrile
PubChem CID155506050
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4,5,6-trimethyl-2-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyridine-3-carbonitrile
SMILESCc1nc(N2CCC3(CCc4c3nc(N3CCOCC3)[nH]c4=O)CC2)c(C#N)c(C)c1C
InChIInChI=1S/C24H30N6O2/c1-15-16(2)19(14-25)21(26-17(15)3)29-8-6-24(7-9-29)5-4-18-20(24)27-23(28-22(18)31)30-10-12-32-13-11-30/h4-13H2,1-3H3,(H,27,28,31)
InChIKeyPHBNORHFNVELSO-UHFFFAOYSA-N
XLogP2.28
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155506794
2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile
CID 154571624
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'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157014265
1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157016956
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
1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 163306794
1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584740
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
2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155500772

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(N2CCC3(CCc4c3nc(N3CCOCC3)[nH]c4=O)CC2)c(C#N)c(C)c1C.
What is the InChIKey of 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?
The InChIKey is PHBNORHFNVELSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15-16(2)19(14-25)21(26-17(15)3)29-8-6-24(7-9-29)5-4-18-20(24)27-23(28-22(18)31)30-10-12-32-13-11-30/h4-13H2,1-3H3,(H,27,28,31).
What are the key properties of 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?
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 has a molecular weight of 434.54 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155506050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).