2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile

C23H27N5O — CID 154571624

IUPAC2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile
SMILESCc1nc(N2CCCC3(CCc4c3nc(C3CC3)[nH]c4=O)C2)c(C#N)c(C)c1C
InChIInChI=1S/C23H27N5O/c1-13-14(2)18(11-24)21(25-15(13)3)28-10-4-8-23(12-28)9-7-17-19(23)26-20(16-5-6-16)27-22(17)29/h16H,4-10,12H2,1-3H3,(H,26,27,29)
InChIKeyLMPMLWJNGNHCNR-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.32
Rot. Bonds2

About 2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile

2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile (PubChem CID 154571624) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile
PubChem CID154571624
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile
SMILESCc1nc(N2CCCC3(CCc4c3nc(C3CC3)[nH]c4=O)C2)c(C#N)c(C)c1C
InChIInChI=1S/C23H27N5O/c1-13-14(2)18(11-24)21(25-15(13)3)28-10-4-8-23(12-28)9-7-17-19(23)26-20(16-5-6-16)27-22(17)29/h16H,4-10,12H2,1-3H3,(H,26,27,29)
InChIKeyLMPMLWJNGNHCNR-UHFFFAOYSA-N
XLogP3.32
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile with MolForge

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Related Compounds

6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile
CID 154563618
1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154563906
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-cyclopropyl-1'-(2-ethoxyacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154818410
2-cyclopropyl-1'-(4-hydroxy-2-methylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564878
2-cyclopropyl-1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154571460
2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817402
2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154820188
2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154823599
1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565364
2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155502439
2-cyclopropyl-1'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154566323

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile?
The IUPAC name of 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) is 2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile is Cc1nc(N2CCCC3(CCc4c3nc(C3CC3)[nH]c4=O)C2)c(C#N)c(C)c1C.
What is the InChIKey of 2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile?
The InChIKey is LMPMLWJNGNHCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-13-14(2)18(11-24)21(25-15(13)3)28-10-4-8-23(12-28)9-7-17-19(23)26-20(16-5-6-16)27-22(17)29/h16H,4-10,12H2,1-3H3,(H,26,27,29).
What are the key properties of 2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile?
2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile has a molecular weight of 389.50 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,5,6-trimethylpyridine-3-carbonitrile is sourced from PubChem (CID 154571624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).