3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol

C26H34N6O4 — CID 131994405

IUPAC3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESCO[C@@](C)(CO)N1CCN(Cc2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc3c2)CC1
InChIInChI=1S/C26H34N6O4/c1-26(18-33,35-2)32-8-6-30(7-9-32)17-19-14-22-23(27-16-19)25(31-10-12-36-13-11-31)29-24(28-22)20-4-3-5-21(34)15-20/h3-5,14-16,33-34H,6-13,17-18H2,1-2H3/t26-/m0/s1
InChIKeyGQUPVAOBZSZOIG-SANMLTNESA-N
MW494.60 g/mol
LogP1.71
Rot. Bonds7

About 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol

3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 131994405) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
PubChem CID131994405
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Name3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESCO[C@@](C)(CO)N1CCN(Cc2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc3c2)CC1
InChIInChI=1S/C26H34N6O4/c1-26(18-33,35-2)32-8-6-30(7-9-32)17-19-14-22-23(27-16-19)25(31-10-12-36-13-11-31)29-24(28-22)20-4-3-5-21(34)15-20/h3-5,14-16,33-34H,6-13,17-18H2,1-2H3/t26-/m0/s1
InChIKeyGQUPVAOBZSZOIG-SANMLTNESA-N
XLogP1.71
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol (CID 131994405) is 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol is CO[C@@](C)(CO)N1CCN(Cc2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc3c2)CC1.
What is the InChIKey of 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is GQUPVAOBZSZOIG-SANMLTNESA-N. The full InChI is InChI=1S/C26H34N6O4/c1-26(18-33,35-2)32-8-6-30(7-9-32)17-19-14-22-23(27-16-19)25(31-10-12-36-13-11-31)29-24(28-22)20-4-3-5-21(34)15-20/h3-5,14-16,33-34H,6-13,17-18H2,1-2H3/t26-/m0/s1.
What are the key properties of 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 494.60 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[4-[(2S)-1-hydroxy-2-methoxypropan-2-yl]piperazin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 131994405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).