8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

C24H26N6O5 — CID 46869633

IUPAC8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCC(=O)N1CCN(c2cc(C(=O)O)nc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C24H26N6O5/c1-15(31)28-5-7-29(8-6-28)19-14-18(23(33)34)25-22-20(16-3-2-4-17(32)13-16)26-24(27-21(19)22)30-9-11-35-12-10-30/h2-4,13-14,32H,5-12H2,1H3,(H,33,34)
InChIKeySXRYCINHQISHNG-UHFFFAOYSA-N
MW478.51 g/mol
LogP1.60
Rot. Bonds4

About 8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869633) has the molecular formula C24H26N6O5 and a molecular weight of 478.51 g/mol. Its IUPAC name is 8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869633
Molecular FormulaC24H26N6O5
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC Name8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCC(=O)N1CCN(c2cc(C(=O)O)nc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C24H26N6O5/c1-15(31)28-5-7-29(8-6-28)19-14-18(23(33)34)25-22-20(16-3-2-4-17(32)13-16)26-24(27-21(19)22)30-9-11-35-12-10-30/h2-4,13-14,32H,5-12H2,1H3,(H,33,34)
InChIKeySXRYCINHQISHNG-UHFFFAOYSA-N
XLogP1.60
TPSA132.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869633) is 8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is CC(=O)N1CCN(c2cc(C(=O)O)nc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc23)CC1.
What is the InChIKey of 8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is SXRYCINHQISHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5/c1-15(31)28-5-7-29(8-6-28)19-14-18(23(33)34)25-22-20(16-3-2-4-17(32)13-16)26-24(27-21(19)22)30-9-11-35-12-10-30/h2-4,13-14,32H,5-12H2,1H3,(H,33,34).
What are the key properties of 8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 478.51 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).