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

C18H27N5O — CID 86772960

IUPACcyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCN1CCc2ncnc(N3CCN(C(=O)C4CCCC4)CC3)c2C1
InChIInChI=1S/C18H27N5O/c1-21-7-6-16-15(12-21)17(20-13-19-16)22-8-10-23(11-9-22)18(24)14-4-2-3-5-14/h13-14H,2-12H2,1H3
InChIKeySTSVWDNYJPRPNZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.30
Rot. Bonds2

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

cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 86772960) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID86772960
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Namecyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCN1CCc2ncnc(N3CCN(C(=O)C4CCCC4)CC3)c2C1
InChIInChI=1S/C18H27N5O/c1-21-7-6-16-15(12-21)17(20-13-19-16)22-8-10-23(11-9-22)18(24)14-4-2-3-5-14/h13-14H,2-12H2,1H3
InChIKeySTSVWDNYJPRPNZ-UHFFFAOYSA-N
XLogP1.30
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 86772960) is cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is CN1CCc2ncnc(N3CCN(C(=O)C4CCCC4)CC3)c2C1.
What is the InChIKey of cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is STSVWDNYJPRPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-21-7-6-16-15(12-21)17(20-13-19-16)22-8-10-23(11-9-22)18(24)14-4-2-3-5-14/h13-14H,2-12H2,1H3.
What are the key properties of cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 329.45 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 86772960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).