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

C27H34N4O — CID 142511172

IUPAC2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESC=C1C(C)=CC(c2cc(=O)n3cc(C4CCNCC4)ccc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C27H34N4O/c1-6-18(2)20(4)15-30-16-24(13-19(3)21(30)5)25-14-27(32)31-17-23(7-8-26(31)29-25)22-9-11-28-12-10-22/h7-8,13-18,22,28H,5-6,9-12H2,1-4H3/b20-15-
InChIKeyCMBASCFUPGFSQZ-HKWRFOASSA-N
MW430.60 g/mol
LogP5.23
Rot. Bonds5

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

2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511172) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142511172
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESC=C1C(C)=CC(c2cc(=O)n3cc(C4CCNCC4)ccc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C27H34N4O/c1-6-18(2)20(4)15-30-16-24(13-19(3)21(30)5)25-14-27(32)31-17-23(7-8-26(31)29-25)22-9-11-28-12-10-22/h7-8,13-18,22,28H,5-6,9-12H2,1-4H3/b20-15-
InChIKeyCMBASCFUPGFSQZ-HKWRFOASSA-N
XLogP5.23
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

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
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
2-[(2E,4Z)-6-(dimethylamino)hepta-2,4,6-trien-3-yl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 142510988
7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 145200029
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-(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
2-[(4Z)-5-ethyl-6-methylhepta-2,4,6-trien-3-yl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 142511316
2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridine
CID 59627485
7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119912426
3-chloro-6-cyclopropyl-2-ethylimidazo[1,2-a]pyridine
CID 175615417
2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71711544
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 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) is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is C=C1C(C)=CC(c2cc(=O)n3cc(C4CCNCC4)ccc3n2)=CN1/C=C(/C)C(C)CC.
What is the InChIKey of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CMBASCFUPGFSQZ-HKWRFOASSA-N. The full InChI is InChI=1S/C27H34N4O/c1-6-18(2)20(4)15-30-16-24(13-19(3)21(30)5)25-14-27(32)31-17-23(7-8-26(31)29-25)22-9-11-28-12-10-22/h7-8,13-18,22,28H,5-6,9-12H2,1-4H3/b20-15-.
What are the key properties of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 430.60 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).