6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide

C19H18F5N5O2 — CID 78098510

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C19H18F5N5O2/c20-18(21)9-29(10-18)15-17(31-8-11-4-5-11)27-13(7-26-15)16(30)28-14(19(22,23)24)12-3-1-2-6-25-12/h1-3,6-7,11,14H,4-5,8-10H2,(H,28,30)
InChIKeyZFCWREJEEFRYQJ-UHFFFAOYSA-N
MW443.38 g/mol
LogP3.15
Rot. Bonds7

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 78098510) has the molecular formula C19H18F5N5O2 and a molecular weight of 443.38 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide
PubChem CID78098510
Molecular FormulaC19H18F5N5O2
Molecular Weight443.38 g/mol
Exact Mass443.14
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C19H18F5N5O2/c20-18(21)9-29(10-18)15-17(31-8-11-4-5-11)27-13(7-26-15)16(30)28-14(19(22,23)24)12-3-1-2-6-25-12/h1-3,6-7,11,14H,4-5,8-10H2,(H,28,30)
InChIKeyZFCWREJEEFRYQJ-UHFFFAOYSA-N
XLogP3.15
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoropyridin-2-yl]-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide
CID 71529265
3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 88602362
3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 166636413
3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-(3-fluoropropoxy)pyrazine-2-carboxamide
CID 70356059
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyrazine-2-carboxylic acid ((S)-carbamoyl-phenyl-methyl)-amide
CID 71525669
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71525851
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 71525946
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 71526033
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-2,2,2-trifluoro-1-pyridin-2-yl-ethyl)-amide
CID 71526034
N-[(2S)-1-amino-1-oxo-2-phenylpropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71526130
N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71526221
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-methyl-4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 71526660

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide (CID 78098510) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide is O=C(NC(c1ccccn1)C(F)(F)F)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is ZFCWREJEEFRYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N5O2/c20-18(21)9-29(10-18)15-17(31-8-11-4-5-11)27-13(7-26-15)16(30)28-14(19(22,23)24)12-3-1-2-6-25-12/h1-3,6-7,11,14H,4-5,8-10H2,(H,28,30).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 443.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 78098510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).