[5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol

C23H28N4O3 — CID 144519570

IUPAC[5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(C(C)(C)C)nc3n2)cc1CO
InChIInChI=1S/C23H28N4O3/c1-23(2,3)22-25-20-17(21(26-22)27-9-11-30-12-10-27)6-7-18(24-20)15-5-8-19(29-4)16(13-15)14-28/h5-8,13,28H,9-12,14H2,1-4H3
InChIKeyJFJALNPVUBDOAE-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.33
Rot. Bonds4

About [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol

[5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol (PubChem CID 144519570) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol
PubChem CID144519570
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name[5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(C(C)(C)C)nc3n2)cc1CO
InChIInChI=1S/C23H28N4O3/c1-23(2,3)22-25-20-17(21(26-22)27-9-11-30-12-10-27)6-7-18(24-20)15-5-8-19(29-4)16(13-15)14-28/h5-8,13,28H,9-12,14H2,1-4H3
InChIKeyJFJALNPVUBDOAE-UHFFFAOYSA-N
XLogP3.33
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol with MolForge

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Related Compounds

[5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
CID 71250855
[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane
CID 144519586
[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-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 16737936
[2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 71731490
[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999109
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999738
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(oxan-4-yloxy)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 71493789
[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
5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde
CID 143913582
[5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol
CID 126601800
[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

Frequently Asked Questions

What is the IUPAC name of [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol?
The IUPAC name of [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol (CID 144519570) is [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol.
What is the SMILES notation for [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol?
The canonical SMILES for [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol is COc1ccc(-c2ccc3c(N4CCOCC4)nc(C(C)(C)C)nc3n2)cc1CO.
What is the InChIKey of [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol?
The InChIKey is JFJALNPVUBDOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-23(2,3)22-25-20-17(21(26-22)27-9-11-30-12-10-27)6-7-18(24-20)15-5-8-19(29-4)16(13-15)14-28/h5-8,13,28H,9-12,14H2,1-4H3.
What are the key properties of [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol?
[5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol has a molecular weight of 408.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol is sourced from PubChem (CID 144519570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).