5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide

C20H16ClF2N5O2 — CID 172677859

IUPAC5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide
SMILESO=C(NC1(c2cnccn2)CC1)c1cnc(OCC(F)(F)c2cccc(Cl)c2)cn1
InChIInChI=1S/C20H16ClF2N5O2/c21-14-3-1-2-13(8-14)20(22,23)12-30-17-11-26-15(9-27-17)18(29)28-19(4-5-19)16-10-24-6-7-25-16/h1-3,6-11H,4-5,12H2,(H,28,29)
InChIKeyQMNWVTZDJYYZOV-UHFFFAOYSA-N
MW431.83 g/mol
LogP3.51
Rot. Bonds7

About 5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide

5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide (PubChem CID 172677859) has the molecular formula C20H16ClF2N5O2 and a molecular weight of 431.83 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide
PubChem CID172677859
Molecular FormulaC20H16ClF2N5O2
Molecular Weight431.83 g/mol
Exact Mass431.10
IUPAC Name5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide
SMILESO=C(NC1(c2cnccn2)CC1)c1cnc(OCC(F)(F)c2cccc(Cl)c2)cn1
InChIInChI=1S/C20H16ClF2N5O2/c21-14-3-1-2-13(8-14)20(22,23)12-30-17-11-26-15(9-27-17)18(29)28-19(4-5-19)16-10-24-6-7-25-16/h1-3,6-11H,4-5,12H2,(H,28,29)
InChIKeyQMNWVTZDJYYZOV-UHFFFAOYSA-N
XLogP3.51
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-chloro-2-pyridinyl)-2,2-difluoroethoxy]-6-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 178273451
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-chloro-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 90372970
N-[3-[(1R,5S,6R)-3-amino-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-5-chloro-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 90412200
5-[2-(3,4-difluorophenyl)-2,2-difluoroethoxy]-N-(1-pyridin-3-ylcyclopropyl)pyrazine-2-carboxamide
CID 178306687
5-[2-(3,4-difluorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide
CID 178309052
5-[2-(3-chlorophenyl)ethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide
CID 178309603
5-[2-(3,4-difluorophenyl)-2,2-difluoroethoxy]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 178309924
methyl (2R)-2-[[6-(3-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carbonyl]amino]-3-methylbutanoate
CID 24829803
(S)-6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxamide
CID 56929101
6-(4-chlorophenyl)-N-[(2E)-2-cyclopropyl-2-methoxyiminoethyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide
CID 57377673
6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine-2-carboxamide
CID 66687372
Methyl 2-[[6-(3-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carbonyl]amino]-3-methylbutanoate
CID 68566472

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide (CID 172677859) is 5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide is O=C(NC1(c2cnccn2)CC1)c1cnc(OCC(F)(F)c2cccc(Cl)c2)cn1.
What is the InChIKey of 5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide?
The InChIKey is QMNWVTZDJYYZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N5O2/c21-14-3-1-2-13(8-14)20(22,23)12-30-17-11-26-15(9-27-17)18(29)28-19(4-5-19)16-10-24-6-7-25-16/h1-3,6-11H,4-5,12H2,(H,28,29).
What are the key properties of 5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide?
5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide has a molecular weight of 431.83 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-(1-pyrazin-2-ylcyclopropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 172677859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).