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

C20H21N5O — CID 154563618

IUPAC6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC3(CCc4c3nc(C3CC3)[nH]c4=O)C2)nc1
InChIInChI=1S/C20H21N5O/c21-10-13-2-5-16(22-11-13)25-9-1-7-20(12-25)8-6-15-17(20)23-18(14-3-4-14)24-19(15)26/h2,5,11,14H,1,3-4,6-9,12H2,(H,23,24,26)
InChIKeyLWRSCZUGXUCOMJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.40
Rot. Bonds2

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

6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile (PubChem CID 154563618) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile
PubChem CID154563618
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC3(CCc4c3nc(C3CC3)[nH]c4=O)C2)nc1
InChIInChI=1S/C20H21N5O/c21-10-13-2-5-16(22-11-13)25-9-1-7-20(12-25)8-6-15-17(20)23-18(14-3-4-14)24-19(15)26/h2,5,11,14H,1,3-4,6-9,12H2,(H,23,24,26)
InChIKeyLWRSCZUGXUCOMJ-UHFFFAOYSA-N
XLogP2.40
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154563906
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
2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155502439
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
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'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570528
1-[2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 154563479
1'-(1,3-benzodioxole-5-carbonyl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492985
2-cyclopropyl-1'-(4-hydroxy-2-methylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564878
6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
CID 134075055
2-cyclopropyl-1'-(2-ethoxyacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154818410

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile (CID 154563618) is 6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CCCC3(CCc4c3nc(C3CC3)[nH]c4=O)C2)nc1.
What is the InChIKey of 6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile?
The InChIKey is LWRSCZUGXUCOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-10-13-2-5-16(22-11-13)25-9-1-7-20(12-25)8-6-15-17(20)23-18(14-3-4-14)24-19(15)26/h2,5,11,14H,1,3-4,6-9,12H2,(H,23,24,26).
What are the key properties of 6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile?
6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile has a molecular weight of 347.42 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 154563618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).