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

C17H23N5O — CID 17190780

IUPAC6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
SMILESCN1CCN(c2ncc3c(=O)n(C4CCCC4)ccc3n2)CC1
InChIInChI=1S/C17H23N5O/c1-20-8-10-21(11-9-20)17-18-12-14-15(19-17)6-7-22(16(14)23)13-4-2-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyQQILGROGOLTGLD-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.66
Rot. Bonds2

About 6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one

6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one (PubChem CID 17190780) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
PubChem CID17190780
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
SMILESCN1CCN(c2ncc3c(=O)n(C4CCCC4)ccc3n2)CC1
InChIInChI=1S/C17H23N5O/c1-20-8-10-21(11-9-20)17-18-12-14-15(19-17)6-7-22(16(14)23)13-4-2-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyQQILGROGOLTGLD-UHFFFAOYSA-N
XLogP1.66
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one (CID 17190780) is 6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one is CN1CCN(c2ncc3c(=O)n(C4CCCC4)ccc3n2)CC1.
What is the InChIKey of 6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is QQILGROGOLTGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20-8-10-21(11-9-20)17-18-12-14-15(19-17)6-7-22(16(14)23)13-4-2-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3.
What are the key properties of 6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 313.40 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 17190780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).