4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C20H27N7O — CID 171387770

IUPAC4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCN(C)CCN1CCN(c2nc(-c3cccnc3)nc3c2CCNC3=O)CC1
InChIInChI=1S/C20H27N7O/c1-25(2)8-9-26-10-12-27(13-11-26)19-16-5-7-22-20(28)17(16)23-18(24-19)15-4-3-6-21-14-15/h3-4,6,14H,5,7-13H2,1-2H3,(H,22,28)
InChIKeyZZLVZGJAVDVODI-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.51
Rot. Bonds5

About 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171387770) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171387770
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCN(C)CCN1CCN(c2nc(-c3cccnc3)nc3c2CCNC3=O)CC1
InChIInChI=1S/C20H27N7O/c1-25(2)8-9-26-10-12-27(13-11-26)19-16-5-7-22-20(28)17(16)23-18(24-19)15-4-3-6-21-14-15/h3-4,6,14H,5,7-13H2,1-2H3,(H,22,28)
InChIKeyZZLVZGJAVDVODI-UHFFFAOYSA-N
XLogP0.51
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387506
4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388926
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386018
4-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388176
1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 171909290
2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171906541
2-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386787
4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 5261004
2-pyridin-3-yl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385384
2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387661
2-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387424
4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 133317098

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171387770) is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CN(C)CCN1CCN(c2nc(-c3cccnc3)nc3c2CCNC3=O)CC1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is ZZLVZGJAVDVODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-25(2)8-9-26-10-12-27(13-11-26)19-16-5-7-22-20(28)17(16)23-18(24-19)15-4-3-6-21-14-15/h3-4,6,14H,5,7-13H2,1-2H3,(H,22,28).
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 381.48 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171387770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).