5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid

C18H23N7O3 — CID 122048024

IUPAC5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCCN(c3cc(N4CCOCC4)ncn3)C2)cn1
InChIInChI=1S/C18H23N7O3/c26-18(27)14-9-20-15(10-19-14)23-13-2-1-3-25(11-13)17-8-16(21-12-22-17)24-4-6-28-7-5-24/h8-10,12-13H,1-7,11H2,(H,20,23)(H,26,27)
InChIKeyQMJQXUWEQTXHTM-UHFFFAOYSA-N
MW385.43 g/mol
LogP0.88
Rot. Bonds5

About 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid

5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid (PubChem CID 122048024) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
PubChem CID122048024
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCCN(c3cc(N4CCOCC4)ncn3)C2)cn1
InChIInChI=1S/C18H23N7O3/c26-18(27)14-9-20-15(10-19-14)23-13-2-1-3-25(11-13)17-8-16(21-12-22-17)24-4-6-28-7-5-24/h8-10,12-13H,1-7,11H2,(H,20,23)(H,26,27)
InChIKeyQMJQXUWEQTXHTM-UHFFFAOYSA-N
XLogP0.88
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
CID 171084156
[6-[(3R)-3-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]methanol
CID 177305968
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 126777315
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 162368315
3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 126769937
cis-(1R,3S)-2,2-dimethyl-3-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066086
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166409269
4-chloro-2-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]benzonitrile
CID 133309975
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56877905
oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 154849852

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid (CID 122048024) is 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC2CCCN(c3cc(N4CCOCC4)ncn3)C2)cn1.
What is the InChIKey of 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid?
The InChIKey is QMJQXUWEQTXHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c26-18(27)14-9-20-15(10-19-14)23-13-2-1-3-25(11-13)17-8-16(21-12-22-17)24-4-6-28-7-5-24/h8-10,12-13H,1-7,11H2,(H,20,23)(H,26,27).
What are the key properties of 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid?
5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid has a molecular weight of 385.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122048024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).