5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde

C23H25N5O4 — CID 143913582

IUPAC5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(N4CCOCC4)nc3n2)cc1C=O
InChIInChI=1S/C23H25N5O4/c1-30-20-5-2-16(14-17(20)15-29)19-4-3-18-21(24-19)25-23(28-8-12-32-13-9-28)26-22(18)27-6-10-31-11-7-27/h2-5,14-15H,6-13H2,1H3
InChIKeyMWBUVQLTIOAVEH-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.19
Rot. Bonds5

About 5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde

5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde (PubChem CID 143913582) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde
PubChem CID143913582
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(N4CCOCC4)nc3n2)cc1C=O
InChIInChI=1S/C23H25N5O4/c1-30-20-5-2-16(14-17(20)15-29)19-4-3-18-21(24-19)25-23(28-8-12-32-13-9-28)26-22(18)27-6-10-31-11-7-27/h2-5,14-15H,6-13H2,1H3
InChIKeyMWBUVQLTIOAVEH-UHFFFAOYSA-N
XLogP2.19
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[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-(3-methylmorpholin-4-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 66674135
4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2,6-dimethoxyphenol
CID 135611079
N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine
CID 59776884
[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
methyl 2-methoxy-5-(4-morpholin-4-yl-2-propan-2-ylpyrido[2,3-d]pyrimidin-7-yl)benzoate
CID 144519566
[5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol
CID 144519570
[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane
CID 144519586
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-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
CID 71250855
N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 16735754
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 5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde (CID 143913582) is 5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde is COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4CCOCC4)nc3n2)cc1C=O.
What is the InChIKey of 5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde?
The InChIKey is MWBUVQLTIOAVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-30-20-5-2-16(14-17(20)15-29)19-4-3-18-21(24-19)25-23(28-8-12-32-13-9-28)26-22(18)27-6-10-31-11-7-27/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde?
5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde has a molecular weight of 435.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde is sourced from PubChem (CID 143913582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).