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

C20H29F2N5O3 — CID 71525765

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)N(C)C
InChIInChI=1S/C20H29F2N5O3/c1-12(2)7-14(19(29)26(3)4)24-17(28)15-8-23-16(27-10-20(21,22)11-27)18(25-15)30-9-13-5-6-13/h8,12-14H,5-7,9-11H2,1-4H3,(H,24,28)/t14-/m0/s1
InChIKeyUNXWQBKXHUQJCY-AWEZNQCLSA-N
MW425.48 g/mol
LogP1.95
Rot. Bonds9

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

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide (PubChem CID 71525765) has the molecular formula C20H29F2N5O3 and a molecular weight of 425.48 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
PubChem CID71525765
Molecular FormulaC20H29F2N5O3
Molecular Weight425.48 g/mol
Exact Mass425.22
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)N(C)C
InChIInChI=1S/C20H29F2N5O3/c1-12(2)7-14(19(29)26(3)4)24-17(28)15-8-23-16(27-10-20(21,22)11-27)18(25-15)30-9-13-5-6-13/h8,12-14H,5-7,9-11H2,1-4H3,(H,24,28)/t14-/m0/s1
InChIKeyUNXWQBKXHUQJCY-AWEZNQCLSA-N
XLogP1.95
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 51.95
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-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide (CID 71525765) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide is CC(C)C[C@H](NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)N(C)C.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?
The InChIKey is UNXWQBKXHUQJCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H29F2N5O3/c1-12(2)7-14(19(29)26(3)4)24-17(28)15-8-23-16(27-10-20(21,22)11-27)18(25-15)30-9-13-5-6-13/h8,12-14H,5-7,9-11H2,1-4H3,(H,24,28)/t14-/m0/s1.
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 1.95, 9 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-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71525765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).