4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one

C18H23N5O3 — CID 142667725

IUPAC4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1c(N2CCC(O)CC2)cccc1N1CNC(=O)c2n[nH]c(C)c21
InChIInChI=1S/C18H23N5O3/c1-11-16-15(21-20-11)18(25)19-10-23(16)14-5-3-4-13(17(14)26-2)22-8-6-12(24)7-9-22/h3-5,12,24H,6-10H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyQIAWWZMXLPSRHH-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.53
Rot. Bonds3

About 4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one

4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 142667725) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID142667725
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1c(N2CCC(O)CC2)cccc1N1CNC(=O)c2n[nH]c(C)c21
InChIInChI=1S/C18H23N5O3/c1-11-16-15(21-20-11)18(25)19-10-23(16)14-5-3-4-13(17(14)26-2)22-8-6-12(24)7-9-22/h3-5,12,24H,6-10H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyQIAWWZMXLPSRHH-UHFFFAOYSA-N
XLogP1.53
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one (CID 142667725) is 4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one is COc1c(N2CCC(O)CC2)cccc1N1CNC(=O)c2n[nH]c(C)c21.
What is the InChIKey of 4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is QIAWWZMXLPSRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11-16-15(21-20-11)18(25)19-10-23(16)14-5-3-4-13(17(14)26-2)22-8-6-12(24)7-9-22/h3-5,12,24H,6-10H2,1-2H3,(H,19,25)(H,20,21).
What are the key properties of 4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one?
4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 357.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]-3-methyl-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 142667725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).