cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C17H25N5O — CID 56868241

IUPACcyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCCN1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)CC1
InChIInChI=1S/C17H25N5O/c1-2-20-7-9-21(10-8-20)16-14-5-6-22(17(23)13-3-4-13)11-15(14)18-12-19-16/h12-13H,2-11H2,1H3
InChIKeyTYBJLQCFTVYOMM-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.91
Rot. Bonds3

About cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56868241) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56868241
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Namecyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCCN1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)CC1
InChIInChI=1S/C17H25N5O/c1-2-20-7-9-21(10-8-20)16-14-5-6-22(17(23)13-3-4-13)11-15(14)18-12-19-16/h12-13H,2-11H2,1H3
InChIKeyTYBJLQCFTVYOMM-UHFFFAOYSA-N
XLogP0.91
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 56802043
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N,N-diethylpyrrolidin-3-amine
CID 56861697
7-(Cyclopropylcarbonyl)-4-(3-propoxypiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56861879
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 56862674
N,N-dimethyl-7-(piperidin-1-ylacetyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870004
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(diethylamino)propan-1-one
CID 56870569
N-{1-[7-acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 56871379
1-{2-[2,4-bis(dimethylamino)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-2-oxoethyl}piperidin-4-ol
CID 56872378
7-[(isopropylthio)acetyl]-N,N,N',N'-tetramethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56878155
7-(Ethoxyacetyl)-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56879436
7-(cyclopropylcarbonyl)-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56881261

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56868241) is cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CCN1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)CC1.
What is the InChIKey of cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is TYBJLQCFTVYOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-2-20-7-9-21(10-8-20)16-14-5-6-22(17(23)13-3-4-13)11-15(14)18-12-19-16/h12-13H,2-11H2,1H3.
What are the key properties of cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56868241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).