2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol

C26H32N6O2 — CID 127041882

IUPAC2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCOc1ccc(CN2CCc3nc(-c4ccccn4)nc(N4CCN(CCO)CC4)c3C2)cc1
InChIInChI=1S/C26H32N6O2/c1-34-21-7-5-20(6-8-21)18-31-11-9-23-22(19-31)26(32-14-12-30(13-15-32)16-17-33)29-25(28-23)24-4-2-3-10-27-24/h2-8,10,33H,9,11-19H2,1H3
InChIKeyZMGNNWMAKKNZDY-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.22
Rot. Bonds7

About 2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 127041882) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID127041882
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCOc1ccc(CN2CCc3nc(-c4ccccn4)nc(N4CCN(CCO)CC4)c3C2)cc1
InChIInChI=1S/C26H32N6O2/c1-34-21-7-5-20(6-8-21)18-31-11-9-23-22(19-31)26(32-14-12-30(13-15-32)16-17-33)29-25(28-23)24-4-2-3-10-27-24/h2-8,10,33H,9,11-19H2,1H3
InChIKeyZMGNNWMAKKNZDY-UHFFFAOYSA-N
XLogP2.22
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 127041882) is 2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol is COc1ccc(CN2CCc3nc(-c4ccccn4)nc(N4CCN(CCO)CC4)c3C2)cc1.
What is the InChIKey of 2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is ZMGNNWMAKKNZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-34-21-7-5-20(6-8-21)18-31-11-9-23-22(19-31)26(32-14-12-30(13-15-32)16-17-33)29-25(28-23)24-4-2-3-10-27-24/h2-8,10,33H,9,11-19H2,1H3.
What are the key properties of 2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 460.58 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 127041882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).