5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid

C15H16FN5O3 — CID 122054908

IUPAC5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCc2cnc(N3CCOCC3)c(F)c2)cn1
InChIInChI=1S/C15H16FN5O3/c16-11-5-10(7-20-14(11)21-1-3-24-4-2-21)6-18-13-9-17-12(8-19-13)15(22)23/h5,7-9H,1-4,6H2,(H,18,19)(H,22,23)
InChIKeyCQVXGDVAWBDUGB-UHFFFAOYSA-N
MW333.32 g/mol
LogP1.16
Rot. Bonds5

About 5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid

5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 122054908) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is 5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid
PubChem CID122054908
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCc2cnc(N3CCOCC3)c(F)c2)cn1
InChIInChI=1S/C15H16FN5O3/c16-11-5-10(7-20-14(11)21-1-3-24-4-2-21)6-18-13-9-17-12(8-19-13)15(22)23/h5,7-9H,1-4,6H2,(H,18,19)(H,22,23)
InChIKeyCQVXGDVAWBDUGB-UHFFFAOYSA-N
XLogP1.16
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 125422212
5-[(6-morpholin-4-yl-2-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 122055053
N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095338
N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 126781284
4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 126775819
[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276428
5-[(4-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277474
5-fluoro-6-morpholin-4-ylpyridin-3-amine
CID 58575873
5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 166258137
5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122047842
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109281692
N-benzyl-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277602

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid (CID 122054908) is 5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCc2cnc(N3CCOCC3)c(F)c2)cn1.
What is the InChIKey of 5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is CQVXGDVAWBDUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3/c16-11-5-10(7-20-14(11)21-1-3-24-4-2-21)6-18-13-9-17-12(8-19-13)15(22)23/h5,7-9H,1-4,6H2,(H,18,19)(H,22,23).
What are the key properties of 5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid?
5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 333.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).