6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide

C19H22F2N6O3 — CID 71525941

IUPAC6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESCc1nc([C@@H](NC(=O)c2cnc(N3CC(F)(F)C3)c(OCC3CC3)n2)C2CC2)no1
InChIInChI=1S/C19H22F2N6O3/c1-10-23-15(26-30-10)14(12-4-5-12)25-17(28)13-6-22-16(27-8-19(20,21)9-27)18(24-13)29-7-11-2-3-11/h6,11-12,14H,2-5,7-9H2,1H3,(H,25,28)/t14-/m0/s1
InChIKeyGUSKDDGZTQEDCK-AWEZNQCLSA-N
MW420.42 g/mol
LogP2.29
Rot. Bonds8

About 6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide

6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (PubChem CID 71525941) has the molecular formula C19H22F2N6O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
PubChem CID71525941
Molecular FormulaC19H22F2N6O3
Molecular Weight420.42 g/mol
Exact Mass420.17
IUPAC Name6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESCc1nc([C@@H](NC(=O)c2cnc(N3CC(F)(F)C3)c(OCC3CC3)n2)C2CC2)no1
InChIInChI=1S/C19H22F2N6O3/c1-10-23-15(26-30-10)14(12-4-5-12)25-17(28)13-6-22-16(27-8-19(20,21)9-27)18(24-13)29-7-11-2-3-11/h6,11-12,14H,2-5,7-9H2,1H3,(H,25,28)/t14-/m0/s1
InChIKeyGUSKDDGZTQEDCK-AWEZNQCLSA-N
XLogP2.29
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (CID 71525941) is 6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is Cc1nc([C@@H](NC(=O)c2cnc(N3CC(F)(F)C3)c(OCC3CC3)n2)C2CC2)no1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is GUSKDDGZTQEDCK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22F2N6O3/c1-10-23-15(26-30-10)14(12-4-5-12)25-17(28)13-6-22-16(27-8-19(20,21)9-27)18(24-13)29-7-11-2-3-11/h6,11-12,14H,2-5,7-9H2,1H3,(H,25,28)/t14-/m0/s1.
What are the key properties of 6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[(S)-cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 71525941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).