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

C28H37N5O — CID 142511492

IUPAC2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESC=C1C(C)=CC(c2cc(=O)n3cc(N4CCN(CC)CC4)ccc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C28H37N5O/c1-7-20(3)22(5)17-32-18-24(15-21(4)23(32)6)26-16-28(34)33-19-25(9-10-27(33)29-26)31-13-11-30(8-2)12-14-31/h9-10,15-20H,6-8,11-14H2,1-5H3/b22-17-
InChIKeyJNSKXVTYPXSJOG-XLNRJJMWSA-N
MW459.64 g/mol
LogP4.90
Rot. Bonds6

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

2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511492) has the molecular formula C28H37N5O and a molecular weight of 459.64 g/mol. Its IUPAC name is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID142511492
Molecular FormulaC28H37N5O
Molecular Weight459.64 g/mol
Exact Mass459.30
IUPAC Name2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESC=C1C(C)=CC(c2cc(=O)n3cc(N4CCN(CC)CC4)ccc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C28H37N5O/c1-7-20(3)22(5)17-32-18-24(15-21(4)23(32)6)26-16-28(34)33-19-25(9-10-27(33)29-26)31-13-11-30(8-2)12-14-31/h9-10,15-20H,6-8,11-14H2,1-5H3/b22-17-
InChIKeyJNSKXVTYPXSJOG-XLNRJJMWSA-N
XLogP4.90
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(4-ethylpiperazin-1-yl)pyrido[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-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 142511492) is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(4-ethylpiperazin-1-yl)pyrido[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-(4-ethylpiperazin-1-yl)pyrido[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-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is C=C1C(C)=CC(c2cc(=O)n3cc(N4CCN(CC)CC4)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-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JNSKXVTYPXSJOG-XLNRJJMWSA-N. The full InChI is InChI=1S/C28H37N5O/c1-7-20(3)22(5)17-32-18-24(15-21(4)23(32)6)26-16-28(34)33-19-25(9-10-27(33)29-26)31-13-11-30(8-2)12-14-31/h9-10,15-20H,6-8,11-14H2,1-5H3/b22-17-.
What are the key properties of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 459.64 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).