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

C19H18F5N5O2 — CID 71526033

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](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)/t14-/m0/s1
InChIKeyZFCWREJEEFRYQJ-AWEZNQCLSA-N
MW443.38 g/mol
LogP3.15
Rot. Bonds7

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

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide (PubChem CID 71526033) 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-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
PubChem CID71526033
Molecular FormulaC19H18F5N5O2
Molecular Weight443.38 g/mol
Exact Mass443.14
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](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)/t14-/m0/s1
InChIKeyZFCWREJEEFRYQJ-AWEZNQCLSA-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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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide (CID 71526033) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-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-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide is O=C(N[C@@H](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-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide?
The InChIKey is ZFCWREJEEFRYQJ-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-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-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71526033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).