2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one

C16H17N5OS — CID 75588010

IUPAC2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCN(C2=NC(=O)C3C(c4cccs4)=CC=NC3=N2)CC1
InChIInChI=1S/C16H17N5OS/c1-20-6-8-21(9-7-20)16-18-14-13(15(22)19-16)11(4-5-17-14)12-3-2-10-23-12/h2-5,10,13H,6-9H2,1H3
InChIKeyRYJNNIASMDWCPL-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.37
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one

2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 75588010) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one
PubChem CID75588010
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCN(C2=NC(=O)C3C(c4cccs4)=CC=NC3=N2)CC1
InChIInChI=1S/C16H17N5OS/c1-20-6-8-21(9-7-20)16-18-14-13(15(22)19-16)11(4-5-17-14)12-3-2-10-23-12/h2-5,10,13H,6-9H2,1H3
InChIKeyRYJNNIASMDWCPL-UHFFFAOYSA-N
XLogP1.37
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one
CID 78145825
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine
CID 82514920
1-(3,4-dimethylphenyl)-3-(4-methylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554231
3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553444
1-(3,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555395
1-methyl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552990
4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
CID 10449071
6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline
CID 10764062
1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine
CID 173148165
1-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555456
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995876
1-[(2-methoxyphenyl)methyl]-3-(4-methylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553380

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one (CID 75588010) is 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one is CN1CCN(C2=NC(=O)C3C(c4cccs4)=CC=NC3=N2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is RYJNNIASMDWCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-20-6-8-21(9-7-20)16-18-14-13(15(22)19-16)11(4-5-17-14)12-3-2-10-23-12/h2-5,10,13H,6-9H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one?
2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 327.41 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-thiophen-2-yl-4aH-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 75588010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).