[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C24H29N5O3S — CID 24999738

IUPAC[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCSCC4)nc3n2)cc1CO
InChIInChI=1S/C24H29N5O3S/c1-16-15-32-10-7-29(16)23-19-4-5-20(17-3-6-21(31-2)18(13-17)14-30)25-22(19)26-24(27-23)28-8-11-33-12-9-28/h3-6,13,16,30H,7-12,14-15H2,1-2H3/t16-/m0/s1
InChIKeyDXALOGQHMCVPRH-INIZCTEOSA-N
MW467.60 g/mol
LogP2.97
Rot. Bonds5

About [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 24999738) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID24999738
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCSCC4)nc3n2)cc1CO
InChIInChI=1S/C24H29N5O3S/c1-16-15-32-10-7-29(16)23-19-4-5-20(17-3-6-21(31-2)18(13-17)14-30)25-22(19)26-24(27-23)28-8-11-33-12-9-28/h3-6,13,16,30H,7-12,14-15H2,1-2H3/t16-/m0/s1
InChIKeyDXALOGQHMCVPRH-INIZCTEOSA-N
XLogP2.97
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 25002020
[2-methoxy-5-[2-[(3R)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 146626004
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 25000369
1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-3-ol
CID 25000729
[5-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol;but-2-enedioic acid
CID 75044641
ethyl 1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 25001384
2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 59703434
[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999109
(3S)-4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703467
4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 66673591
4-chloro-N-cyclopropyl-N-[1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]benzenesulfonamide
CID 57463692
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(oxan-4-yloxy)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 71493789

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 24999738) is [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCSCC4)nc3n2)cc1CO.
What is the InChIKey of [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is DXALOGQHMCVPRH-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-16-15-32-10-7-29(16)23-19-4-5-20(17-3-6-21(31-2)18(13-17)14-30)25-22(19)26-24(27-23)28-8-11-33-12-9-28/h3-6,13,16,30H,7-12,14-15H2,1-2H3/t16-/m0/s1.
What are the key properties of [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 467.60 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 24999738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).