(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C24H32N4O4 — CID 162650989

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCCCC4)ncc3C2)c(O)cc1O
InChIInChI=1S/C24H32N4O4/c1-16(2)18-12-19(22(30)13-21(18)29)23(31)28-9-6-20-17(15-28)14-25-24(26-20)32-11-10-27-7-4-3-5-8-27/h12-14,16,29-30H,3-11,15H2,1-2H3
InChIKeyQSRCOVWTHJTHJY-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.07
Rot. Bonds6

About (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 162650989) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID162650989
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCCCC4)ncc3C2)c(O)cc1O
InChIInChI=1S/C24H32N4O4/c1-16(2)18-12-19(22(30)13-21(18)29)23(31)28-9-6-20-17(15-28)14-25-24(26-20)32-11-10-27-7-4-3-5-8-27/h12-14,16,29-30H,3-11,15H2,1-2H3
InChIKeyQSRCOVWTHJTHJY-UHFFFAOYSA-N
XLogP3.07
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 162650989) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CC(C)c1cc(C(=O)N2CCc3nc(OCCN4CCCCC4)ncc3C2)c(O)cc1O.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is QSRCOVWTHJTHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-16(2)18-12-19(22(30)13-21(18)29)23(31)28-9-6-20-17(15-28)14-25-24(26-20)32-11-10-27-7-4-3-5-8-27/h12-14,16,29-30H,3-11,15H2,1-2H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 440.54 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(2-piperidin-1-ylethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 162650989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).