4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid

C25H29N5O4 — CID 66959575

IUPAC4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CCC(C(=O)O)CC3)c2c1=O
InChIInChI=1S/C25H29N5O4/c1-29-15-26-21-14-20(16-4-8-19(9-5-16)30-10-12-34-13-11-30)28-23(22(21)24(29)31)27-18-6-2-17(3-7-18)25(32)33/h4-5,8-9,14-15,17-18H,2-3,6-7,10-13H2,1H3,(H,27,28)(H,32,33)
InChIKeyOSIXPDHQAPHUMJ-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.89
Rot. Bonds5

About 4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid

4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 66959575) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID66959575
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CCC(C(=O)O)CC3)c2c1=O
InChIInChI=1S/C25H29N5O4/c1-29-15-26-21-14-20(16-4-8-19(9-5-16)30-10-12-34-13-11-30)28-23(22(21)24(29)31)27-18-6-2-17(3-7-18)25(32)33/h4-5,8-9,14-15,17-18H,2-3,6-7,10-13H2,1H3,(H,27,28)(H,32,33)
InChIKeyOSIXPDHQAPHUMJ-UHFFFAOYSA-N
XLogP2.89
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid (CID 66959575) is 4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CCC(C(=O)O)CC3)c2c1=O.
What is the InChIKey of 4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is OSIXPDHQAPHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-29-15-26-21-14-20(16-4-8-19(9-5-16)30-10-12-34-13-11-30)28-23(22(21)24(29)31)27-18-6-2-17(3-7-18)25(32)33/h4-5,8-9,14-15,17-18H,2-3,6-7,10-13H2,1H3,(H,27,28)(H,32,33).
What are the key properties of 4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid?
4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 463.54 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66959575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).