(2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine

C24H29N5O3 — CID 16736981

IUPAC(2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1
InChIInChI=1S/C24H29N5O3/c1-16-14-29(15-17(2)32-16)24-26-22-20(23(27-24)28-10-12-31-13-11-28)8-9-21(25-22)18-4-6-19(30-3)7-5-18/h4-9,16-17H,10-15H2,1-3H3/t16-,17+
InChIKeyGQIOMLPTHUBUKY-CALCHBBNSA-N
MW435.53 g/mol
LogP3.15
Rot. Bonds4

About (2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine

(2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine (PubChem CID 16736981) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is (2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
PubChem CID16736981
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name(2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1
InChIInChI=1S/C24H29N5O3/c1-16-14-29(15-17(2)32-16)24-26-22-20(23(27-24)28-10-12-31-13-11-28)8-9-21(25-22)18-4-6-19(30-3)7-5-18/h4-9,16-17H,10-15H2,1-3H3/t16-,17+
InChIKeyGQIOMLPTHUBUKY-CALCHBBNSA-N
XLogP3.15
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine (CID 16736981) is (2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine is COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1.
What is the InChIKey of (2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine?
The InChIKey is GQIOMLPTHUBUKY-CALCHBBNSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-14-29(15-17(2)32-16)24-26-22-20(23(27-24)28-10-12-31-13-11-28)8-9-21(25-22)18-4-6-19(30-3)7-5-18/h4-9,16-17H,10-15H2,1-3H3/t16-,17+.
What are the key properties of (2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine?
(2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine has a molecular weight of 435.53 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 16736981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).