5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid

C22H21N7O3 — CID 121275932

IUPAC5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid
SMILESCn1ncc2ccc(-c3cc(Nc4ccc(C(=O)O)nc4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C22H21N7O3/c1-28-19-10-14(2-3-15(19)12-24-28)18-11-20(25-16-4-5-17(21(30)31)23-13-16)27-22(26-18)29-6-8-32-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,30,31)(H,25,26,27)
InChIKeyMXMSPIJEFMGDEF-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.70
Rot. Bonds5

About 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid

5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid (PubChem CID 121275932) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid
PubChem CID121275932
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid
SMILESCn1ncc2ccc(-c3cc(Nc4ccc(C(=O)O)nc4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C22H21N7O3/c1-28-19-10-14(2-3-15(19)12-24-28)18-11-20(25-16-4-5-17(21(30)31)23-13-16)27-22(26-18)29-6-8-32-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,30,31)(H,25,26,27)
InChIKeyMXMSPIJEFMGDEF-UHFFFAOYSA-N
XLogP2.70
TPSA118.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid (CID 121275932) is 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid is Cn1ncc2ccc(-c3cc(Nc4ccc(C(=O)O)nc4)nc(N4CCOCC4)n3)cc21.
What is the InChIKey of 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is MXMSPIJEFMGDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-28-19-10-14(2-3-15(19)12-24-28)18-11-20(25-16-4-5-17(21(30)31)23-13-16)27-22(26-18)29-6-8-32-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,30,31)(H,25,26,27).
What are the key properties of 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid?
5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 431.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 121275932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).