5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid

C20H24N8O3 — CID 68704499

IUPAC5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)O)nc1Nc1ccnn1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C20H24N8O3/c1-14-2-3-15(20(29)30)25-19(14)26-17-4-5-24-28(17)18-12-16(22-13-23-18)21-6-7-27-8-10-31-11-9-27/h2-5,12-13H,6-11H2,1H3,(H,25,26)(H,29,30)(H,21,22,23)
InChIKeyDRMMKNDIBRQDHB-UHFFFAOYSA-N
MW424.47 g/mol
LogP1.55
Rot. Bonds8

About 5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid

5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid (PubChem CID 68704499) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid
PubChem CID68704499
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC Name5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)O)nc1Nc1ccnn1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C20H24N8O3/c1-14-2-3-15(20(29)30)25-19(14)26-17-4-5-24-28(17)18-12-16(22-13-23-18)21-6-7-27-8-10-31-11-9-27/h2-5,12-13H,6-11H2,1H3,(H,25,26)(H,29,30)(H,21,22,23)
InChIKeyDRMMKNDIBRQDHB-UHFFFAOYSA-N
XLogP1.55
TPSA130.32 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid (CID 68704499) is 5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid is Cc1ccc(C(=O)O)nc1Nc1ccnn1-c1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of 5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is DRMMKNDIBRQDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c1-14-2-3-15(20(29)30)25-19(14)26-17-4-5-24-28(17)18-12-16(22-13-23-18)21-6-7-27-8-10-31-11-9-27/h2-5,12-13H,6-11H2,1H3,(H,25,26)(H,29,30)(H,21,22,23).
What are the key properties of 5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid?
5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 424.47 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 68704499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).