methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate

C23H26N4O4 — CID 144519566

IUPACmethyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate
SMILESCOC(=O)c1cc(-c2ccc3c(N4CCOCC4)nc(C(C)C)nc3n2)ccc1OC
InChIInChI=1S/C23H26N4O4/c1-14(2)20-25-21-16(22(26-20)27-9-11-31-12-10-27)6-7-18(24-21)15-5-8-19(29-3)17(13-15)23(28)30-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyIWENRYJZIJRSKN-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.45
Rot. Bonds5

About methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate

methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate (PubChem CID 144519566) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate
PubChem CID144519566
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Namemethyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate
SMILESCOC(=O)c1cc(-c2ccc3c(N4CCOCC4)nc(C(C)C)nc3n2)ccc1OC
InChIInChI=1S/C23H26N4O4/c1-14(2)20-25-21-16(22(26-20)27-9-11-31-12-10-27)6-7-18(24-21)15-5-8-19(29-3)17(13-15)23(28)30-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyIWENRYJZIJRSKN-UHFFFAOYSA-N
XLogP3.45
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate with MolForge

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Related Compounds

2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid
CID 158779468
5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde
CID 143913582
[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane
CID 144519586
[5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol
CID 144519570
2-methoxy-5-[4-(3-methylmorpholin-4-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 66674135
[5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
CID 71250855
5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxybenzoic acid
CID 155131203
[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
4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol
CID 135611079
2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 59703434

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate?
The IUPAC name of methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate (CID 144519566) is methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate.
What is the SMILES notation for methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate?
The canonical SMILES for methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate is COC(=O)c1cc(-c2ccc3c(N4CCOCC4)nc(C(C)C)nc3n2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate?
The InChIKey is IWENRYJZIJRSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-14(2)20-25-21-16(22(26-20)27-9-11-31-12-10-27)6-7-18(24-21)15-5-8-19(29-3)17(13-15)23(28)30-4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate?
methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate has a molecular weight of 422.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate is sourced from PubChem (CID 144519566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).