3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide

C23H23FN8O2 — CID 175085728

IUPAC3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3C3COCCN3)cn12
InChIInChI=1S/C23H23FN8O2/c1-13-9-28-18-5-4-14(11-32(13)18)19-20(17-12-34-8-7-27-17)31-22(25)21(30-19)23(33)29-10-16-15(24)3-2-6-26-16/h2-6,9,11,17,27H,7-8,10,12H2,1H3,(H2,25,31)(H,29,33)
InChIKeyXUZCGIBZAXEBGJ-UHFFFAOYSA-N
MW462.49 g/mol
LogP1.81
Rot. Bonds5

About 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide

3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide (PubChem CID 175085728) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide
PubChem CID175085728
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3C3COCCN3)cn12
InChIInChI=1S/C23H23FN8O2/c1-13-9-28-18-5-4-14(11-32(13)18)19-20(17-12-34-8-7-27-17)31-22(25)21(30-19)23(33)29-10-16-15(24)3-2-6-26-16/h2-6,9,11,17,27H,7-8,10,12H2,1H3,(H2,25,31)(H,29,33)
InChIKeyXUZCGIBZAXEBGJ-UHFFFAOYSA-N
XLogP1.81
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide (CID 175085728) is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3C3COCCN3)cn12.
What is the InChIKey of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide?
The InChIKey is XUZCGIBZAXEBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-13-9-28-18-5-4-14(11-32(13)18)19-20(17-12-34-8-7-27-17)31-22(25)21(30-19)23(33)29-10-16-15(24)3-2-6-26-16/h2-6,9,11,17,27H,7-8,10,12H2,1H3,(H2,25,31)(H,29,33).
What are the key properties of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide?
3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 175085728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).