2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C26H33N5O — CID 142511064

IUPAC2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC/C(C)=C(C)/C=C1/C=C(c2cc(=O)n3cc(N4CCN[C@H](C)C4)ccc3n2)C=CN1C
InChIInChI=1S/C26H33N5O/c1-6-18(2)19(3)13-23-14-21(9-11-29(23)5)24-15-26(32)31-17-22(7-8-25(31)28-24)30-12-10-27-20(4)16-30/h7-9,11,13-15,17,20,27H,6,10,12,16H2,1-5H3/b19-18+,23-13-/t20-/m1/s1
InChIKeyZYXYUBZBNAJZLQ-BVKPJPICSA-N
MW431.58 g/mol
LogP3.97
Rot. Bonds4

About 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511064) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID142511064
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC/C(C)=C(C)/C=C1/C=C(c2cc(=O)n3cc(N4CCN[C@H](C)C4)ccc3n2)C=CN1C
InChIInChI=1S/C26H33N5O/c1-6-18(2)19(3)13-23-14-21(9-11-29(23)5)24-15-26(32)31-17-22(7-8-25(31)28-24)30-12-10-27-20(4)16-30/h7-9,11,13-15,17,20,27H,6,10,12,16H2,1-5H3/b19-18+,23-13-/t20-/m1/s1
InChIKeyZYXYUBZBNAJZLQ-BVKPJPICSA-N
XLogP3.97
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 142511064) is 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is CC/C(C)=C(C)/C=C1/C=C(c2cc(=O)n3cc(N4CCN[C@H](C)C4)ccc3n2)C=CN1C.
What is the InChIKey of 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZYXYUBZBNAJZLQ-BVKPJPICSA-N. The full InChI is InChI=1S/C26H33N5O/c1-6-18(2)19(3)13-23-14-21(9-11-29(23)5)24-15-26(32)31-17-22(7-8-25(31)28-24)30-12-10-27-20(4)16-30/h7-9,11,13-15,17,20,27H,6,10,12,16H2,1-5H3/b19-18+,23-13-/t20-/m1/s1.
What are the key properties of 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 431.58 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(E)-2,3-dimethylpent-2-enylidene]-1-methyl-4-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).