4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

C20H22N4O4S — CID 141312491

IUPAC4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(CS(C)(=O)=O)nc3n2)cc1
InChIInChI=1S/C20H22N4O4S/c1-27-15-5-3-14(4-6-15)17-8-7-16-19(21-17)22-18(13-29(2,25)26)23-20(16)24-9-11-28-12-10-24/h3-8H,9-13H2,1-2H3
InChIKeySHNWVQLHTNMBDL-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.08
Rot. Bonds5

About 4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 141312491) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID141312491
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(CS(C)(=O)=O)nc3n2)cc1
InChIInChI=1S/C20H22N4O4S/c1-27-15-5-3-14(4-6-15)17-8-7-16-19(21-17)22-18(13-29(2,25)26)23-20(16)24-9-11-28-12-10-24/h3-8H,9-13H2,1-2H3
InChIKeySHNWVQLHTNMBDL-UHFFFAOYSA-N
XLogP2.08
TPSA94.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Azd8055
CID 25262965
Ku-0063794
CID 16736978
7-(4-Methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 2817025
2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol
CID 16735967
(2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 16736981
[2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24998177
(3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol
CID 24998808
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999737
[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
CID 25262967
(5-(2,4-Bis((S)-3-methylmorpholino)pyrido-[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol
CID 44200436
1-[(4-methoxyphenyl)methyl]-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea
CID 57427684
[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

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (CID 141312491) is 4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is COc1ccc(-c2ccc3c(N4CCOCC4)nc(CS(C)(=O)=O)nc3n2)cc1.
What is the InChIKey of 4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is SHNWVQLHTNMBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-27-15-5-3-14(4-6-15)17-8-7-16-19(21-17)22-18(13-29(2,25)26)23-20(16)24-9-11-28-12-10-24/h3-8H,9-13H2,1-2H3.
What are the key properties of 4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 414.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 141312491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).