N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide

C20H19F4N5O3 — CID 171534695

IUPACN-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H](c2nc3cc(F)c(F)cc3n2CC(F)F)[C@@H]2COCCO2)cn1
InChIInChI=1S/C20H19F4N5O3/c1-10-6-26-14(7-25-10)20(30)28-18(16-9-31-2-3-32-16)19-27-13-4-11(21)12(22)5-15(13)29(19)8-17(23)24/h4-7,16-18H,2-3,8-9H2,1H3,(H,28,30)/t16-,18-/m0/s1
InChIKeyZEXCKEGDSMMMOL-WMZOPIPTSA-N
MW453.40 g/mol
LogP2.56
Rot. Bonds6

About N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide

N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 171534695) has the molecular formula C20H19F4N5O3 and a molecular weight of 453.40 g/mol. Its IUPAC name is N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID171534695
Molecular FormulaC20H19F4N5O3
Molecular Weight453.40 g/mol
Exact Mass453.14
IUPAC NameN-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H](c2nc3cc(F)c(F)cc3n2CC(F)F)[C@@H]2COCCO2)cn1
InChIInChI=1S/C20H19F4N5O3/c1-10-6-26-14(7-25-10)20(30)28-18(16-9-31-2-3-32-16)19-27-13-4-11(21)12(22)5-15(13)29(19)8-17(23)24/h4-7,16-18H,2-3,8-9H2,1H3,(H,28,30)/t16-,18-/m0/s1
InChIKeyZEXCKEGDSMMMOL-WMZOPIPTSA-N
XLogP2.56
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide with MolForge

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Related Compounds

(R)-3-morpholino-N-(2,2,2-trifluoro-1-(pyridin-2-yl)ethyl)imidazo[1,5-a]pyridine-1-carboxamide
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1-amino-N-(2-pyridin-2-ylethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
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1-amino-N-(2-methoxyethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
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1-amino-N-(2-hydroxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168280617
N-[2-(4-morpholinyl)ethyl]-2-[2-(2-pyridinyl)-1H-benzimidazol-1-yl]acetamide
CID 2959218
N-[4-(4-morpholinyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide trifluoroacetate
CID 4880974
N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127042087
1-amino-N-(1-hydroxypropan-2-yl)pyrazino[1,2-a]benzimidazole-3-carboxamide
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1-amino-N-hexylpyrazino[1,2-a]benzimidazole-3-carboxamide
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US11530208, Example 9
CID 118971789
7-Methyl-imidazo[1,2-a]pyridine-2-carboxylic acid (2-morpholin-4-yl-phenyl)-amide
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Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide (CID 171534695) is N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@H](c2nc3cc(F)c(F)cc3n2CC(F)F)[C@@H]2COCCO2)cn1.
What is the InChIKey of N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ZEXCKEGDSMMMOL-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H19F4N5O3/c1-10-6-26-14(7-25-10)20(30)28-18(16-9-31-2-3-32-16)19-27-13-4-11(21)12(22)5-15(13)29(19)8-17(23)24/h4-7,16-18H,2-3,8-9H2,1H3,(H,28,30)/t16-,18-/m0/s1.
What are the key properties of N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 453.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[1-(2,2-difluoroethyl)-5,6-difluorobenzimidazol-2-yl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 171534695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).