6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one

C24H29Cl2N5O — CID 155623812

IUPAC6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one
SMILESCc1c(N2CCC3(CC2)c2ncccc2C[C@H]3N)nc(C)n([C@H]2CCCC(Cl)=C2Cl)c1=O
InChIInChI=1S/C24H29Cl2N5O/c1-14-22(29-15(2)31(23(14)32)18-7-3-6-17(25)20(18)26)30-11-8-24(9-12-30)19(27)13-16-5-4-10-28-21(16)24/h4-5,10,18-19H,3,6-9,11-13,27H2,1-2H3/t18-,19+/m0/s1
InChIKeyOFQCJTOIVASGGS-RBUKOAKNSA-N
MW474.44 g/mol
LogP4.09
Rot. Bonds2

About 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one

6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one (PubChem CID 155623812) has the molecular formula C24H29Cl2N5O and a molecular weight of 474.44 g/mol. Its IUPAC name is 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one
PubChem CID155623812
Molecular FormulaC24H29Cl2N5O
Molecular Weight474.44 g/mol
Exact Mass473.17
IUPAC Name6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one
SMILESCc1c(N2CCC3(CC2)c2ncccc2C[C@H]3N)nc(C)n([C@H]2CCCC(Cl)=C2Cl)c1=O
InChIInChI=1S/C24H29Cl2N5O/c1-14-22(29-15(2)31(23(14)32)18-7-3-6-17(25)20(18)26)30-11-8-24(9-12-30)19(27)13-16-5-4-10-28-21(16)24/h4-5,10,18-19H,3,6-9,11-13,27H2,1-2H3/t18-,19+/m0/s1
InChIKeyOFQCJTOIVASGGS-RBUKOAKNSA-N
XLogP4.09
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one with MolForge

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Related Compounds

6-(2-amino-6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155165297
3-(2-chloro-3-methylphenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
CID 161287827
3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
CID 158112369
(6R)-1'-propan-2-ylspiro[6,7-dihydrocyclopenta[b]pyrazine-5,4'-piperidine]-6-amine;bis((6R)-1'-propan-2-ylspiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine);(6R)-1'-propan-2-ylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-piperidine]-6-amine;(2R)-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-amine
CID 158741938
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155165316
6-[(3R,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 162369004
(6R)-1'-tert-butylspiro[6,7-dihydrocyclopenta[b]pyrazine-5,4'-piperidine]-6-amine;(6R)-1'-tert-butylspiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine;(6R)-1'-tert-butylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-piperidine]-6-amine;(6R)-1'-tert-butylspiro[5,6-dihydrocyclopenta[c]pyridine-7,4'-piperidine]-6-amine;(2R)-1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine]-2-amine
CID 163761730
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 157300798
2,5-dimethyl-6-[(1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3,4-trimethylphenyl)pyrimidin-4-one
CID 155623826
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)
CID 158484339
6-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-2,5-dimethyl-3-naphthalen-2-ylpyrimidin-4-one
CID 155184185
3-(2,3-dichlorophenyl)-2,5-dimethyl-6-[4-methyl-4-(2-methylpropyl)azepan-1-yl]pyrimidin-4-one
CID 155623757

Frequently Asked Questions

What is the IUPAC name of 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one?
The IUPAC name of 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one (CID 155623812) is 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one?
The canonical SMILES for 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one is Cc1c(N2CCC3(CC2)c2ncccc2C[C@H]3N)nc(C)n([C@H]2CCCC(Cl)=C2Cl)c1=O.
What is the InChIKey of 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one?
The InChIKey is OFQCJTOIVASGGS-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H29Cl2N5O/c1-14-22(29-15(2)31(23(14)32)18-7-3-6-17(25)20(18)26)30-11-8-24(9-12-30)19(27)13-16-5-4-10-28-21(16)24/h4-5,10,18-19H,3,6-9,11-13,27H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one?
6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one has a molecular weight of 474.44 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6R)-6-aminospiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-1'-yl]-3-[(1S)-2,3-dichlorocyclohex-2-en-1-yl]-2,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 155623812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).