2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one

C29H39N5O — CID 142511095

IUPAC2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one
SMILESC=C1C(C(C)CC)=CC(c2cc(=O)n3cc(C4CCNCC4)ncc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C29H39N5O/c1-7-19(3)21(5)16-33-17-24(13-25(22(33)6)20(4)8-2)26-14-29(35)34-18-27(31-15-28(34)32-26)23-9-11-30-12-10-23/h13-20,23,30H,6-12H2,1-5H3/b21-16-
InChIKeyLSYCOHLMPJXGTL-PGMHBOJBSA-N
MW473.67 g/mol
LogP5.65
Rot. Bonds7

About 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one

2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one (PubChem CID 142511095) has the molecular formula C29H39N5O and a molecular weight of 473.67 g/mol. Its IUPAC name is 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one
PubChem CID142511095
Molecular FormulaC29H39N5O
Molecular Weight473.67 g/mol
Exact Mass473.32
IUPAC Name2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one
SMILESC=C1C(C(C)CC)=CC(c2cc(=O)n3cc(C4CCNCC4)ncc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C29H39N5O/c1-7-19(3)21(5)16-33-17-24(13-25(22(33)6)20(4)8-2)26-14-29(35)34-18-27(31-15-28(34)32-26)23-9-11-30-12-10-23/h13-20,23,30H,6-12H2,1-5H3/b21-16-
InChIKeyLSYCOHLMPJXGTL-PGMHBOJBSA-N
XLogP5.65
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.67
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511172
2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 142511319
4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one
CID 167588651
3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one
CID 137373916
5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one
CID 82395604
3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 118207230
2-[(2Z)-4-[[(Z)-2,3-dimethylpent-1-enyl]amino]penta-2,4-dienimidoyl]-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 142511512
2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one
CID 159565827
2-[(2E,4Z)-6-(dimethylamino)hepta-2,4,6-trien-3-yl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 142510988
8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054721
6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054621
2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 145200180

Frequently Asked Questions

What is the IUPAC name of 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one (CID 142511095) is 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one is C=C1C(C(C)CC)=CC(c2cc(=O)n3cc(C4CCNCC4)ncc3n2)=CN1/C=C(/C)C(C)CC.
What is the InChIKey of 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is LSYCOHLMPJXGTL-PGMHBOJBSA-N. The full InChI is InChI=1S/C29H39N5O/c1-7-19(3)21(5)16-33-17-24(13-25(22(33)6)20(4)8-2)26-14-29(35)34-18-27(31-15-28(34)32-26)23-9-11-30-12-10-23/h13-20,23,30H,6-12H2,1-5H3/b21-16-.
What are the key properties of 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one?
2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 473.67 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).