[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol

C26H33N5O4 — CID 57441850

IUPAC[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CO
InChIInChI=1S/C26H33N5O4/c1-16-15-34-10-9-31(16)25-21-6-7-22(19-5-8-23(33-4)20(11-19)14-32)27-24(21)28-26(29-25)30-12-17(2)35-18(3)13-30/h5-8,11,16-18,32H,9-10,12-15H2,1-4H3/t16-,17-,18+/m0/s1
InChIKeyPYBZGBUQJGDFIX-OKZBNKHCSA-N
MW479.58 g/mol
LogP3.03
Rot. Bonds5

About [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol

[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol (PubChem CID 57441850) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
PubChem CID57441850
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CO
InChIInChI=1S/C26H33N5O4/c1-16-15-34-10-9-31(16)25-21-6-7-22(19-5-8-23(33-4)20(11-19)14-32)27-24(21)28-26(29-25)30-12-17(2)35-18(3)13-30/h5-8,11,16-18,32H,9-10,12-15H2,1-4H3/t16-,17-,18+/m0/s1
InChIKeyPYBZGBUQJGDFIX-OKZBNKHCSA-N
XLogP3.03
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
The IUPAC name of [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol (CID 57441850) is [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
The canonical SMILES for [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CO.
What is the InChIKey of [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
The InChIKey is PYBZGBUQJGDFIX-OKZBNKHCSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-16-15-34-10-9-31(16)25-21-6-7-22(19-5-8-23(33-4)20(11-19)14-32)27-24(21)28-26(29-25)30-12-17(2)35-18(3)13-30/h5-8,11,16-18,32H,9-10,12-15H2,1-4H3/t16-,17-,18+/m0/s1.
What are the key properties of [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol has a molecular weight of 479.58 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 57441850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).