3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

C22H22F2N6O3 — CID 10141347

IUPAC3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cc(F)c(OCCN3CCOCC3)cc2F)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H22F2N6O3/c23-16-11-19(33-9-6-30-4-7-32-8-5-30)17(24)10-15(16)18-13-27-21(25)20(29-18)22(31)28-14-2-1-3-26-12-14/h1-3,10-13H,4-9H2,(H2,25,27)(H,28,31)
InChIKeyQYMZGMIUQWYATB-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.36
Rot. Bonds7

About 3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 10141347) has the molecular formula C22H22F2N6O3 and a molecular weight of 456.45 g/mol. Its IUPAC name is 3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID10141347
Molecular FormulaC22H22F2N6O3
Molecular Weight456.45 g/mol
Exact Mass456.17
IUPAC Name3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cc(F)c(OCCN3CCOCC3)cc2F)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H22F2N6O3/c23-16-11-19(33-9-6-30-4-7-32-8-5-30)17(24)10-15(16)18-13-27-21(25)20(29-18)22(31)28-14-2-1-3-26-12-14/h1-3,10-13H,4-9H2,(H2,25,27)(H,28,31)
InChIKeyQYMZGMIUQWYATB-UHFFFAOYSA-N
XLogP2.36
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 10141347) is 3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is Nc1ncc(-c2cc(F)c(OCCN3CCOCC3)cc2F)nc1C(=O)Nc1cccnc1.
What is the InChIKey of 3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is QYMZGMIUQWYATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O3/c23-16-11-19(33-9-6-30-4-7-32-8-5-30)17(24)10-15(16)18-13-27-21(25)20(29-18)22(31)28-14-2-1-3-26-12-14/h1-3,10-13H,4-9H2,(H2,25,27)(H,28,31).
What are the key properties of 3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 456.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2,5-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10141347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).