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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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).